WAY-322593 - 10mM in DMSO , CAS No.501017-82-9

CAS: 501017-82-9 Cat. No.: W424319 Formule: C₁₉H₁₇ClN₂O Poids moléculaire: 324.80408 PubChem CID: 326324

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

HIF PHD inhibitor; HIF PHD inhibitor; inducing apoptosis (potential anticancer agents); antimicrobial activity;

Specifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

4.443

Liaison rotative

3

Noms et identifiants

Pubchem Sid

528767887

Sourires canoniques

C1C2=CC(=C3C=CC=NC3=C2OCN1CCC4=CC=CC=C4)Cl

IUPAC Name

6-chloro-3-(2-phenylethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

InChIKey

ZYGKVGCVMPUZOC-UHFFFAOYSA-N

INCHI

1S/C19H17ClN2O/c20-17-11-15-12-22(10-8-14-5-2-1-3-6-14)13-23-19(15)18-16(17)7-4-9-21-18/h1-7,9,11H,8,10,12-13H2

Isomères SMILES

C1C2=CC(=C3C=CC=NC3=C2OCN1CCC4=CC=CC=C4)Cl

PubChem CID

326324

Poids moléculaire

324.80408

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Benzoxazines Pyridines and derivatives Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Benzoxazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 324.800 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 324.103 Da
• Monoisotopic Mass: 324.103 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 388.000
• 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