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

CAS: 385389-39-9 Cat. No.: W423785 Formula: C₂₁H₁₇N₃O₄ Peso molecolare: 375.37738 PubChem CID: 1935913

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

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

Specifications

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

ALogP

3.555

Conteggio HBD

1

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

528767880

Sorrisi canonici

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)

Isomeri SMILES

CC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4

PubChem CID

1935913

Peso molecolare

375.37738

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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