Building Blocks

2-(2-bromoethoxy)naphthalene (2BEEN) is a white or light yellow crystalline solid. It has a molecular weight of 198.8 and an empirical formula of C14H16BrO. 2BEEN is structurally related to piperazine, but the bromine atom at the 2 position in 2BEEN provides a linkage with the ethoxy group at the 4 position, which can orient in two possible orientations. The compound exhibits cis-trans conformational torsion and dihedral angles that are similar to those found in piperazine.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

4-Hydroxy-7-methyl-[1,8]naphthyridine-3-carboxylic acid is a compound that has been shown to be an antibacterial agent. It has been shown to selectively inhibit the growth of Gram-positive bacteria by binding to the bacterial cell wall. 4-Hydroxy-7-methyl-[1,8]naphthyridine-3-carboxylic acid binds to amino acids in the peptidoglycan layer of the bacterial cell wall and inhibits the crosslinking of these amino acids with divalent ions such as calcium and magnesium. This leads to changes in solvation structures and decreases in hydrogen bonding interactions, which reduces the stability of the peptidoglycan layer. The spectrum for this molecule is anharmonic, which means that it does not have a harmonic frequency but instead has many frequencies that are related by integer numbers. The molecule can exist in three different forms: two tautomers (keto form

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

(Pyridin-4-yl)urea is a ligand with affinity for the neurohormonal receptor urotensin. The binding affinity of this ligand to the urotensin receptor is in the low nanomolar range. (Pyridin-4-yl)urea binds to the urotensin receptor with a higher affinity than its natural ligands, which are small peptides. This compound has been shown to act as a potent antagonist of urotensin, inhibiting its function and blocking the release of its natural agonists, vasopressin and oxytocin. (Pyridin-4-yl)urea has also been shown to inhibit the binding of vasopressin or oxytocin to their specific receptors on cells, which may lead to an increased production of these hormones in vitro.

<p>Versatile small molecule scaffold</p>

The molecular formula of 4-Phenylphenyl)urea is C8H7N3O2 and its molecular weight is 186.19 g/mol. The chemical name for 4-Phenylphenyl)urea is (4-phenylphenyl) urea. It has a melting point of 192°C, a boiling point of 334°C, and a density of 1.12 g/cm3. 4-Phenylphenyl)urea crystallizes in the orthorhombic system with space group Pbca and lattice constants a = 8.068 Å, b = 7.957 Å, c = 12.096 Å and β = 116°. It has hydrogen bonds to water molecules as well as to itself through hydrogen bonds with the amide NH groups on the urea moiety and the phenyl ring on one molecule forming hydrogen bonds with other phenyl rings on adjacent molecules.

<p>Versatile small molecule scaffold</p>

2-(2-Bromophenyl)-1H-benzimidazole is a halogenated aromatic compound that has been used in electrochemical studies. It can be synthesized by the reaction of bromine with 2,4-dinitrobenzene. The compound exhibits a number of functional groups including nitro and bromo groups. One of the most notable properties of this compound is its ability to act as an efficient electrocatalyst for the reduction of chloride ions to hydrogen gas. 2-(2-Bromophenyl)-1H-benzimidazole also has potentiodynamic polarization properties and has been shown to catalyze the reduction of a number of organic compounds including propane, butane, pentane, hexane and heptane. This compound is also used in microscopy simulations to study unsymmetrical molecules.

<p>3-Hydroxy-3-phenylpentanoic acid is a chiral compound with two stereoisomers, the L and D configurations. The L form has been shown to be an enantiomer of propiophenone, which is an ester that reacts in the presence of acetate and hydrogen chloride to form 3-hydroxy-3-phenylpentanoic acid acetate. This reaction is a condensation reaction. The D form has been shown to be an enantiomer of propiophenone, which is an ester that reacts in the presence of acetate and hydrogen chloride to form 3-hydroxy-3-phenylpentanoic acid acetate. This reaction is a condensation reaction. 3HPP can also be synthesized by asymmetric synthesis or hydrolysis.</p>

<p>Versatile small molecule scaffold</p>

<p>4-(4-Methylphenyl)-3-thiosemicarbazide is a carbonyl compound. It has been shown to be an inhibitor of acetylcholinesterase, an enzyme that breaks down the neurotransmitter acetylcholine, which is involved in muscle contraction. This inhibition causes paralysis and death in insects. 4-(4-Methylphenyl)-3-thiosemicarbazide has also been shown to be active against gram-negative bacteria. The structure of this molecule was determined by its vibrational spectra and multinuclear NMR data. 4-(4-Methylphenyl)-3-thiosemicarbazide stabilizes the dihedral angle between two nitrogen atoms, which are necessary for formation rate.</p>

<p>4-Bromobut-2-yn-1-ol is a chemical compound belonging to the group of thyroid hormones. It is a potent thyromimetic that has been used in cancer research and genetic disease studies. 4-Bromobut-2-yn-1-ol binds to hormone receptors, thereby initiating a response in cells. This compound has been shown to induce mutations in colorectal adenocarcinoma cells, as well as gene expression changes in mutant cells. 4-Bromobut-2-yn-1-ol is also cardiotoxic, with an ID50 value of 0.06 mg/kg body weight.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

(2-Bromoethyl)oxirane is an industrial chemical that is a reactive, hydroxylated amine. It is used for the synthesis of pharmaceuticals and other organic compounds. (2-Bromoethyl)oxirane has been shown to induce cancer in animals, and it has also been shown to be carcinogenic in humans. The reaction with hydroxyl groups on proteins leads to the formation of reactive oxygen species that can cause damage to DNA. This chemical may also react with dopamine, which may contribute to degenerative diseases such as Parkinson's disease.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>2-Hydrazinylpyrimidine-5-carbonitrile is an anticancer drug that inhibits cell proliferation by binding to transition metal ions. It has cytostatic activity and is used to treat cancer. 2-Hydrazinylpyrimidine-5-carbonitrile also has antibacterial properties and can be used to treat infections caused by staphylococcus. The drug inhibits bacterial growth by binding to the sulfhydryl groups of enzymes such as methionine adenosyltransferase and acylhydrazone synthase, which are involved in fatty acid synthesis. This inhibition leads to a decrease in the production of fatty acids, thereby leading to bacterial death. 2-Hydrazinylpyrimidine-5-carbonitrile has been shown to have antiplatelet effects and can be immobilized for in vitro anticancer activity studies.</p>

<p>Versatile small molecule scaffold</p>

8-Iodooct-1-ene is a potential precursor in the synthesis of octadiene. It can be synthesized by dehydrating ethylene with magnesium. 8-Iodooct-1-ene is a coproduct of the Grignard reaction, which is used to synthesize an alkene from a vinyl group and a reactive organic halide. The preparation of 8-iodooct-1-ene has been described in detail using techniques such as focusing on chirality and using coproducts to avoid unwanted reactions.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>1-(4-Cyclopropoxyphenyl)ethan-1-one is a stable, colorless ether. It is used in the acylation of aromatic or aliphatic compounds and has been shown to undergo acylation reactions with nitric acid, sulfuric acid, or phosphoric acid. This compound can also be cleaved with hydrochloric acid to form propionaldehyde.</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>3-Chloronaphthalen-2-amine is a high concentration, organic solvent that is soluble in water and stable. It has been shown to be a reductant, which is a substance that donates electrons to another reactant in a chemical reaction. 3-Chloronaphthalen-2-amine can be used as a solvent for underwater applications and may have the ability to reduce nitrogen gas into ammonia. The residue of 3-chloronaphthalen-2-amine can be removed by solvents such as chloroform or ether.</p>

<p>Versatile small molecule scaffold</p>

<p>N-(4-Bromophenyl)-3-oxobutanamide is a complex molecule that belongs to the class of organocatalysts. It has been shown to show antitubercular activity in vitro, with an MIC of 2.5 µg/mL against Mycobacterium tuberculosis and a MIC of 0.05 µg/mL against Mycobacterium avium complex. It also has been shown to be active as an organocatalyst for the carbonylative synthesis of cyclic carbonate esters from simple alkyl dicarbonates and lithium diisopropylamide, which can be used in organic synthesis. The chemical name for this product is N-(4-bromophenyl)-3-oxobutanamide (NBPBA).</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2-(2,3-Dihydro-1H-inden-1-yl)acetic acid (DHIAA) is an organic compound that belongs to the group of heterocyclic compounds. It is a plant cell growth regulator and has been shown to inhibit inflammatory diseases in animal models. DHIAA has a stepwise mechanism that starts with the formation of an alkoxy radical by hydrogen bond between the hydroxyl group and the double bond. This mechanism leads to the production of a reactive oxygen species, which causes oxidative damage in cells. DHIAA also inhibits fatty acid synthesis, which may be due to its interaction with peroxisome proliferator-activated receptor alpha (PPAR-α).</p>

Versatile small molecule scaffold

tert-Butyl N-(2-phenylethyl)carbamate is a reagent for the synthesis of amines and amine salts. It is prepared by treating benzonitrile with primary amines in the presence of hydrogen, which mediates the reaction. This tert-butyl carbamate can be isolated in high yield when a solvent such as diethyl ether or tetrahydrofuran is used. The tert-butyl carbamate can be hydrogenated to form an acid chloride, which is then reacted with an alcohol to form an ester. This method has been used in synthesizing many functionalized compounds, including anti-inflammatory drugs. Tert-butyl N-(2-phenylethyl)carbamate also has a conformational effect on solvents, where it causes immiscible solvents to become miscible due to its acidic nature.

<p>Versatile small molecule scaffold</p>

<p>Ethyl 2-(ethylamino)benzoate is an organic compound that is classified as a hydrocarbon. It has a chemical formula of C6H11NO2 and it is colorless and odorless. This substance can be ingested orally or applied topically. Ethyl 2-(ethylamino)benzoate has been shown to have antifungal, antibacterial, antidiabetic, anti-inflammatory, and antipyretic properties. The metal chelate of ethyl 2-(ethylamino)benzoate has been shown to cause cardiotoxicity in rats by inhibiting the synthesis of myocardial contractile proteins. This compound also inhibits the synthesis of collagen, which can lead to inflammatory diseases such as arthritis.</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

10-Undecenoyl chloride is a fatty acid that is used as a chemical modifier. It has been shown to increase the efficiency of borohydride reduction, which can be used for the synthesis of pharmaceuticals, such as morphine and codeine. 10-Undecenoyl chloride is also stable in basic conditions, making it suitable for use in reactive environments. In addition, 10-undecenoyl chloride has been shown to be effective against HIV and other viruses by interfering with the virus's ability to bind to cells.

<p>2,2-Dimethoxycyclohexan-1-one is a ketoxime used as an intermediate in the synthesis of lysine. It can be used to chlorinate and oxime, or halogenate aromatic compounds.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

2E-3-(2,5-Dimethoxyphenyl)acrylic acid is a molecule that has been synthesised. It has an unsymmetrical carboxylic acid group, and is not a natural product. 2E-3-(2,5-Dimethoxyphenyl)acrylic acid can be made by irradiation of vanillic acid and epigallocatechin. The molecule is the chromophore in the profile of irradiated (2E)-3-(2,5-dimethoxyphenyl)acrylic acid. The compound was synthesised using nitrogen atoms and uv irradiation to break down the vanillic acid and epigallocatechin molecules into smaller fragments of molecules. This process takes around 24 hours to complete.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>4-[2-(Diethylamino)ethoxy]aniline is a probe used in the detection of nicotinamide. It is a potent inhibitor of protein kinases and can be used as an antiemetic agent. 4-[2-(Diethylamino)ethoxy]aniline has been shown to inhibit the activity of multiple types of protein kinases, including serine/threonine, tyrosine, and dual-specificity kinases. This probe also inhibits the activity of chloride channels and has been shown to induce intramolecular hydrogen bonding.</p>

<p>Versatile small molecule scaffold</p>

Iodocyclobutane is an aryl halide that is used in the synthesis of retinoic acid. It is synthesized by reacting iodine with cyclobutane and a magnesium salt. Iodocyclobutane has been shown to have potent anti-cancer activity in cell culture experiments, which may be due to its ability to inhibit the production of retinoic acid receptors α (RAR). Iodocyclobutane is synthesized by reacting iodine with cyclobutane and a magnesium salt. Iodocyclobutane has been shown to have potent anti-cancer activity in cell culture experiments, which may be due to its ability to inhibit the production of retinoic acid receptors α (RAR).

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

GW7647 is a novel compound that has been shown to activate Peroxisome proliferator-activated receptor gamma (PPARγ), which is a nuclear hormone receptor involved in lipid metabolism and the development of insulin resistance. GW7647 activates PPARγ by binding to the ligand-binding domain of the receptor and activating transcriptional activity. This activation was observed in human cells, as well as subtypes of human PPARγ. It has been shown to be selective for PPARγ over other receptors, such as Peroxisome proliferator-activated receptor delta (PPARδ). GW7647 acts on dyslipidemia by lowering triglyceride levels and increasing HDL cholesterol levels without affecting LDL cholesterol levels. This drug has also been shown to have lipid-lowering effects in mice fed a high-fat diet.

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>1-(Aminocarbonyl)-L-proline is a molecule that contains an aminocarbonyl group, which is a nucleophilic functional group. It is a cyclic compound with a ring structure consisting of three carbons and two amino groups. The 1-(aminocarbonyl)-L-proline molecule has been studied using Raman spectroscopy, vibrational spectroscopy, X-ray diffraction, and other techniques. This molecule has been shown to have the potential to be used as an anti-cancer drug by inhibiting the synthesis of DNA and RNA in cells. The conformation of this compound may also be important for understanding its reactivity.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>6-Chlorohexan-3-one is a pyrrole, which is an organic compound that has a six-membered ring. It can be found as the potassium salt and can be used to synthesize indole alkaloids. 6-Chlorohexan-3-one also reacts with potassium and Wittig reagent to form a 1:1 mixture of cis and trans isomers. The insecticide, pyrethrin, is produced from this reaction. This compound can also be used in the synthesis of alkylates when reacted with potassium hydride in an incompletely known manner.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>1,3-Bis(isocyanatomethyl)cyclohexane is an organic compound that belongs to the group of isocyanates. It has a molecular weight of 208.1 and is soluble in water and alcohols. 1,3-Bis(isocyanatomethyl)cyclohexane has a maximum absorbance at uv wavelength of 265 nm and a maximum absorption coefficient at uv wavelength of 3.2×104 M-1 cm-1. This compound has been shown to be toxic to rats when administered in high doses (greater than 100 mg/kg). The toxicity studies have shown that the compound causes eye irritation, skin irritation, and respiratory tract irritation in rats. These effects are more pronounced when the chemical is mixed with trimethylolpropane, which is a polyol used as an additive for polyurethanes.</p>

3-(4-Acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid is a protonated form of 3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)acrylic acid. It has been shown to be more stable than the neutral form, which can be degraded by chemical reactions. This compound is used in polymer matrices as a transition metal ion chelator and has been shown to increase the uptake of vinyl alcohol monomers. The structural parameters of this compound are discussed in relation to thermodynamic calculations at different temperatures.

<p>Imidazo[1,5-a]pyridine is a medicament that is used to treat pediatric patients and humans. It has been shown to be effective in the treatment of hyperaldosteronism and has a low risk of side effects. Imidazo[1,5-a]pyridine inhibits the enzymes farnesyltransferase and geranylgeranyltransferase I, which are involved in cholesterol biosynthesis. This inhibition leads to lower levels of cholesterol and other sterols. The drug also has an intramolecular ring system that stabilizes its conformation. A phosphate salt form of imidazo[1,5-a]pyridine is available for oral administration.</p>

<p>2-Chloro-4-acetamidobenzoic acid is a nonsteroidal anti-inflammatory drug that binds to cyclooxygenase, thereby inhibiting the production of prostaglandins. 2-Chloro-4-acetamidobenzoic acid has been shown to be cytotoxic in vitro, eliciting DNA damage and cell death in some cells. This effect may be due to inhibition of mitochondrial function by 2-chloro-4-acetamidobenzoic acid. The drug has also been found to inhibit the growth of human leukemia cells and mouse mammary tumor cells in vitro. 2-Chloro-4-acetamidobenzoic acid is used as a research tool for studying the effects of cyclooxygenase inhibitors on cell cycle analysis, because it does not cause erythrocyte hemolysis.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>4-phenylpyrimidin-2-ol is a synthetic compound that was originally developed to study the effects of bradykinin on the brain. This drug has been shown to have a number of other effects in cells, including stimulation of photosynthetic activity and promotion of hydrogen bond formation. 4-phenylpyrimidin-2-ol also has an effect on vaginal atrophy in women, as well as symptoms such as profuse sweating, insomnia, and headache. It is thought that these effects are due to 4-phenylpyrimidin-2-ol's ability to bind with brain cells, which results in increased levels of serotonin.</p>

<p>Cyclopropyl(3,4-dimethylphenyl)methanone (CPM) is a synthetic cannabinoid that has been shown to have similar effects to the natural cannabinoids found in cannabis. CPM binds to and activates the CB2 receptor, which is found on cells of the immune system, brain, and other organs. It has been studied for its ability to reduce glioma tumor growth in mice by inhibiting glutamate release. The molecular modeling study showed that CPM binds to the receptor with a geometry similar to other CB2 agonists like JWH-133. In addition, CPM inhibits locomotor activity in rats and has been shown to produce some symptoms of anxiety in mice. A receptor knockout study with mice showed that CPM can bind to CB2 receptors without activating them. X-ray diffraction data indicated that CPM is an achiral molecule with an idealized molecular geometry of "s".</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>4-chlorotetrahydro-2H-thiopyran 1,1-dioxide is an experimental heterocyclic compound. It has a dipole and a methylcyclohexane ring with an axial orientation. The density of the molecule is 1.499 g/cm3. This compound has conformational energies and substituents that are stable at room temperature. Theory predicts that this compound will have 3 conformers, all of which are energetically favorable, with one being more stable than the others. The energies and conformers are influenced by the steric interactions between substituents and cyclohexanes in the molecule. 4-chlorotetrahydro-2H-thiopyran 1,1-dioxide has no electrostatic interactions because it does not have any electronegative atoms or groups.</p>

Versatile small molecule scaffold

2-(2-Bromo-5-hydroxyphenyl)acetic acid is a hydroxylation product of melatonin. It has been shown to be a potent and selective agonist for the melatonin receptor, with an EC50 of 0.4 nM. 2-(2-Bromo-5-hydroxyphenyl)acetic acid is also a potent microbial sodium hydrogen (MSH) receptor antagonist with an IC50 of 9 nM.

Versatile small molecule scaffold

<p>2-Methylsulfonylthiophene is a modulating agent that can inhibit the activity of carbonic anhydrase, adenosine receptors and 5-membered heteroaryl. It has been shown to have affinity for CB1 receptor antagonists and is used to treat cardiovascular diseases. 2-Methylsulfonylthiophene also inhibits the enzymatic activity of anhydrase in the eye, which leads to suppression of intraocular pressure (IOP). The drug also has anti-glaucoma effects by reducing the production of aqueous humour. 2-Methylsulfonylthiophene is used as a dyestuff intermediate and as an organic solvent.</p>

<p>(2-Methoxypyrimidin-4-yl)methanol is a photoreactive molecule that can be synthesized by the dehalogenation of diethylamine and methylated with methanol. The reaction produces a derivative of pyrimidine, which is an important precursor for pharmaceuticals. When irradiated with UV light, (2-methoxypyrimidin-4-yl)methanol undergoes a series of reactions to form the desired pyrimidine product. This reaction proceeds through electron transfer from the amine nitrogen to the methoxy group on the pyrimidine ring. This process yields a 5 membered ring with two oxygen atoms and one nitrogen atom, in contrast to the 6 membered ring formed by other methods.</p>

Versatile small molecule scaffold