≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 5 |
|---|
| Canonical Smiles | C1CC1C(=O)NC2=NC3=C(S2)N=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)C5=C(C(=CC=C5)C6(CC6)C#N)Cl |
|---|---|
| IUPAC Name | 2-chloro-3-(1-cyanocyclopropyl)-N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluorophenyl]benzamide |
| InChIKey | MDPMAXSABUPRJI-UHFFFAOYSA-N |
| INCHI | 1S/C27H19ClFN5O3S/c28-22-16(2-1-3-17(22)27(13-30)10-11-27)24(36)31-20-12-15(6-7-18(20)29)37-21-9-8-19-25(33-21)38-26(32-19)34-23(35)14-4-5-14/h1-3,6-9,12,14H,4-5,10-11H2,(H,31,36)(H,32,34,35) |
| Isomeric SMILES | C1CC1C(=O)NC2=NC3=C(S2)N=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)C5=C(C(=CC=C5)C6(CC6)C#N)Cl |
| PubChem CID | 25206185 |
| Molecular Weight | 548 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Diarylethers 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives N-arylamides Phenoxy compounds Phenol ethers Chlorobenzenes Fluorobenzenes Pyridines and derivatives Cyclopropanecarboxylic acids and derivatives Aryl fluorides Aryl chlorides Heteroaromatic compounds Vinylogous halides Thiazoles Secondary carboxylic acid amides Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzanilide - Diaryl ether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - N-arylamide - Benzoyl - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Pyridine - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Vinylogous halide - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Organochloride - Organopnictogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 548.000 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 547.088 Da |
| Monoisotopic Mass | 547.088 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 974.000 |
| 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 |
