≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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.
CID1231538, a benzothiazole analogue, is a potent GPR35 antagonist ( IC 50 =0.55 μM). GPR35 is a G protein-coupled receptor (GPCR).
In Vitro
GPR35 has gained special consideration as a result of its association with many diseases including type-2 diabetes, nociceptive pain, inflammation, mild mental retardation syndrome, metabolic disorders, and gastric cancer. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Sorrisos canónicos | C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)Cl |
|---|---|
| IUPAC Name | N-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide |
| InChIKey | GMOURXCDGUPWHH-UHFFFAOYSA-N |
| INCHI | 1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31) |
| SMILES isoméricas | C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)Cl |
| PubChem CID | 1231538 |
| Peso molecular | 524.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzamides Morpholine carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Morpholine-4-carboxylic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Aryl thioether - Benzoyl - Halobenzene - Chlorobenzene - Alkylarylthioether - Morpholine - Aryl chloride - Oxazinane - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Ether - Dialkyl ether - Thioether - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | Not available |
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| Solubilidade | DMSO : 50 mg/mL (95.41 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 524.100 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 523.079 Da |
| Monoisotopic Mass | 523.079 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 733.000 |
| 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 |
