10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
ubiquitin ligase inhibitors
| ALogP | 5.057 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 2 |
| Pubchem Sid | 528767831 |
|---|---|
| Canonical Smiles | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC4=CC=CC=C4S3)Cl |
| IUPAC Name | N-(1,3-benzothiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide |
| InChIKey | YOYPBQIYPQJMRP-UHFFFAOYSA-N |
| INCHI | 1S/C16H9ClN2OS2/c17-13-9-5-1-3-7-11(9)21-14(13)15(20)19-16-18-10-6-2-4-8-12(10)22-16/h1-8H,(H,18,19,20) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC4=CC=CC=C4S3)Cl |
| PubChem CID | 726003 |
| Molecular Weight | 344.83846 |
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 |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | 1-benzothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Aryl chlorides Benzenoids Vinylogous halides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-benzothiazole - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Vinylogous halide - Thiophene - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 344.800 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 343.984 Da |
| Monoisotopic Mass | 343.984 Da |
| Topological Polar Surface Area | 98.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 438.000 |
| 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 |
