WAY-325438 - 10mM in DMSO , CAS No.445239-51-0

CAS: 445239-51-0 Cat. No.: W424031 Formule: C₁₈H₁₃ClFNO₃ Poids moléculaire: 345.75 PubChem CID: 717221

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

high inhibition rate against osteoclast formation

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: 4.524
• Nombre de HBD: 1
• Liaison rotative: 5

Noms et identifiants

• Pubchem Sid: 528767936
• Sourires canoniques: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
• IUPAC Name: 5-[(4-chlorophenoxy)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
• InChIKey: WWOCPTXYPHWAJY-UHFFFAOYSA-N
• INCHI: 1S/C18H13ClFNO3/c19-12-5-7-13(8-6-12)23-11-14-9-10-17(24-14)18(22)21-16-4-2-1-3-15(16)20/h1-10H,11H2,(H,21,22)
• Isomères SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)Cl)F
• PubChem CID: 717221
• Poids moléculaire: 345.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Furoic acid and derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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: 345.700 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 345.057 Da
• Monoisotopic Mass: 345.057 Da
• Topological Polar Surface Area: 51.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 417.000
• 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