WAY-297357 - 10mM in DMSO , CAS No.312943-99-0

CAS: 312943-99-0 Cat. No.: W423228 Formule: C₂₂H₁₉N₃O₅ Poids moléculaire: 405.40336 PubChem CID: 1104081

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

SIRT1 Activators

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: 3.061
• Nombre de HBD: 1
• Liaison rotative: 6

Noms et identifiants

• Pubchem Sid: 528767775
• Sourires canoniques: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4
• IUPAC Name: 3,4,5-trimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• InChIKey: LJLACXSBCYAOIH-UHFFFAOYSA-N
• INCHI: 1S/C22H19N3O5/c1-27-17-11-14(12-18(28-2)19(17)29-3)21(26)24-15-7-4-6-13(10-15)22-25-20-16(30-22)8-5-9-23-20/h4-12H,1-3H3,(H,24,26)
• Isomères SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4
• PubChem CID: 1104081
• Poids moléculaire: 405.40336

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenyl-1,3-oxazoles Benzamides Oxazolopyridines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenyl-1,3-oxazole - Benzamide - Benzoic acid or derivatives - 1,3-oxazolopyridine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Azole - Oxazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 405.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 405.132 Da
• Monoisotopic Mass: 405.132 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 565.000
• 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