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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN(CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)C(C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO |
|---|---|
| IUPAC Name | 4-[4-[(R)-[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-N-[4-[[(2R)-4-[2-hydroxyethyl(methyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide |
| InChIKey | UNEJSHNDABUZNY-UJNHCCGESA-N |
| INCHI | 1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1 |
| Isómeros SMILES | CN(CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)[C@H](C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO |
| CAS alternativo | 1357576-48-7 |
| PubChem CID | 86661883 |
| Términos de entrada MeSH | 4-(4-((R)-(2-(4-chlorophenyl)phenyl)-hydroxymethyl)piperidin-1-yl)-N-(4-(((2R)-4-(2-hydroxyethyl(methyl)amino)-1-phenylsulfanylbutan-2-yl)amino)-3-(trifluoromethylsulfonyl)phenyl)sulfonylbenzamide;AZD4320 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorinated biphenyls |
| Alternative Parents | Phenylpiperidines Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Thiophenol ethers Benzoyl derivatives Dialkylarylamines Phenylalkylamines Secondary alkylarylamines Chlorobenzenes Alkylarylthioethers Aryl chlorides Organosulfonic acids and derivatives Sulfones Aminosulfonyl compounds Trihalomethanes Secondary alcohols Trialkylamines Amino acids and derivatives 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Aromatic alcohols Alkyl fluorides Hydrocarbon derivatives Organic oxides Primary alcohols Organochlorides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorinated biphenyl - Phenylpiperidine - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Aryl thioether - Benzoyl - Tertiary aliphatic/aromatic amine - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Thiophenol ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Trihalomethane - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Secondary amine - Alkanolamine - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Primary alcohol - Halomethane - Alkyl halide - Amine - Organic oxide - Organopnictogen compound - Aromatic alcohol - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety. |
| 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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| Peso molecular | 945.500 g/mol |
|---|---|
| XLogP3 | 9.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 18 |
| Exact Mass | 944.233 Da |
| Monoisotopic Mass | 944.233 Da |
| Topological Polar Surface Area | 198.000 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1630.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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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