≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
GPR120 modulator 2 is a G protein coupled receptor 120 (GPR120) modulator extracted from patent US8394841B2, compound example F13. GPR120 modulator 2 can be used for the research of diseases associated with abnormal or deregulated GPR120, such as diabetes
Form:Solid
IC50& Target:GPR120
| Canonical Smiles | CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)CCC(=O)O |
|---|---|
| IUPAC Name | 3-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenyl]propanoic acid |
| InChIKey | PNGZPTUFKSLWEZ-UHFFFAOYSA-N |
| INCHI | 1S/C20H18ClNO3S/c1-13-10-15(8-6-14(13)7-9-20(23)24)25-11-19-22-18(12-26-19)16-4-2-3-5-17(16)21/h2-6,8,10,12H,7,9,11H2,1H3,(H,23,24) |
| Isomeric SMILES | CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)CCC(=O)O |
| Alternate CAS | 1050506-87-0 |
| PubChem CID | 25017837 |
| Molecular Weight | 387.88 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Phenoxy compounds Phenol ethers Toluenes 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 100 mg/mL (257.81 mM) |
|---|---|
| Molecular Weight | 387.900 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 387.07 Da |
| Monoisotopic Mass | 387.07 Da |
| Topological Polar Surface Area | 87.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
