WAY-321364 - 10mM in DMSO , CAS No.385389-39-9

CAS: 385389-39-9 Cat. No.: W423785 Peso molecular: 375.37738 PubChem CID: 1935913

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

altering the lifespan of a eukaryotic organism; casein kinase 2 inhibitors;

Specifications

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

• ALogP: 3.555
• Recuento HBD: 1
• Enlace rotable: 6

Nombres e identificadores

• Pubchem Sid: 528767880
• Sonrisas canónicas: CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4
• IUPAC Name: N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
• InChIKey: TYZKMVYTBACMSY-UHFFFAOYSA-N
• INCHI: 1S/C21H17N3O4/c1-14-5-2-3-6-17(14)27-13-19(25)22-16-10-8-15(9-11-16)20-23-24-21(28-20)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,25)
• Isómeros SMILES: CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4
• PubChem CID: 1935913
• Peso molecular: 375.37738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Phenoxy compounds Phenol ethers N-arylamides Toluenes Alkyl aryl ethers Heteroaromatic compounds Furans 1,3,4-oxadiazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Toluene - 1,3,4-oxadiazole - Azole - Furan - Heteroaromatic compound - Oxadiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 375.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 375.122 Da
• Monoisotopic Mass: 375.122 Da
• Topological Polar Surface Area: 90.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 512.000
• 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