WAY-311318 - 10mM in DMSO , CAS No.333314-79-7

CAS: 333314-79-7 Cat. No.: W423426 Formula: C₂₆H₂₄N₂O₃ Peso molecolare: 412.48036 PubChem CID: 2930221

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

inhibitor of HIF prolyl hydroxylase; inhibitos of the IN-LEDGF/p75 interaction; CLK-1 inhibitor;

Specifiche

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Proprietà del prodotto

ALogP

4.652

Conteggio HBD

2

Legame rotabile

7

Nomi e identificatori

Pubchem Sid

528767842

Sorrisi canonici

COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)CCC4=CC=CC=C4

IUPAC Name

N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-phenylpropanamide

InChIKey

RFCCQJJHFAITGH-UHFFFAOYSA-N

INCHI

1S/C26H24N2O3/c1-31-21-13-10-20(11-14-21)24(28-23(29)16-9-18-6-3-2-4-7-18)22-15-12-19-8-5-17-27-25(19)26(22)30/h2-8,10-15,17,24,30H,9,16H2,1H3,(H,28,29)

Isomeri SMILES

COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)CCC4=CC=CC=C4

PubChem CID

2930221

Peso molecolare

412.48036

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: 8-hydroxyquinolines Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridines and derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinoline - 8-hydroxyquinoline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 412.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 412.179 Da
• Monoisotopic Mass: 412.179 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 557.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1