Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
JNJ-7706621 is a dual cyclin-dependent kinases and aurora kinases inhibitor with IC50 of 9 and 11 nM for CDK1/Cyclin B and aurora-A, respectively.
| Pubchem Sid | 504763641 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763641 |
| Canonical Smiles | C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F |
| IUPAC Name | 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide |
| InChIKey | KDKUVYLMPJIGKA-UHFFFAOYSA-N |
| INCHI | 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) |
| Isomeric SMILES | C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F |
| Molecular Weight | 394.36 |
| Reaxy-Rn | 10202230 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10202230&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Vinylogous halides Triazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Vinylogous halide - Aminosulfonyl compound - Heteroaromatic compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Organoheterocyclic compound - Azacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 17, 2023 | J125527 | |
| Certificate of Analysis | Aug 17, 2023 | J125527 | |
| Certificate of Analysis | Aug 17, 2023 | J125527 | |
| Certificate of Analysis | Aug 17, 2023 | J125527 | |
| Certificate of Analysis | Aug 17, 2023 | J125527 |
| Solubility | DMSO 79 mg/mL Water <1 mg/mL Ethanol <1 mg/mL |
|---|---|
| Sensitivity | Light sensitive |
| Molecular Weight | 394.400 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 394.066 Da |
| Monoisotopic Mass | 394.066 Da |
| Topological Polar Surface Area | 154.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 630.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →