Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Armazenar a -20°C Ships Arca de gelo + almofadas de gelo 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.
O AT7519 é um inibidor multi-CDK para CDK1, 2, 4, 6 e 9 com IC50 de 10-210 nM. É menos potente para a CDK3 e pouco ativo para a CDK7. Fase 2.
Uma nova pequena molécula eficaz como inibidor pan-Cdk para Cdk1, Cdk2, Cdk3, Cdk4, Cdk5 e Cdk6.
| ALogP | 2.6 |
|---|
| Pubchem Sid | 528763167 |
|---|---|
| Sorrisos canónicos | C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl |
| IUPAC Name | 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide |
| InChIKey | OVPNQJVDAFNBDN-UHFFFAOYSA-N |
| INCHI | 1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) |
| SMILES isoméricas | C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl |
| Peso molecular | 382.24 |
| Reaxy-Rn | 28045917 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28045917&ln= |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 2-halobenzoic acids and derivatives |
| Alternative Parents | Benzamides Pyrazole-5-carboxamides 2-heteroaryl carboxamides Dichlorobenzenes Benzoyl derivatives Piperidines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - 1,3-dichlorobenzene - Benzoyl - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Piperidine - Vinylogous amide - Vinylogous halide - Pyrazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring. |
| External Descriptors | Not available |
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| Solubilidade | Soluble in DMSO (10 mg/ml) at 25°C, water (<1 mg/ml) at 25 °C, and ethanol (<1 mg/ml) at 25°C. |
|---|---|
| Peso molecular | 382.200 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 381.076 Da |
| Monoisotopic Mass | 381.076 Da |
| Topological Polar Surface Area | 98.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
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