WAY-321364 - ≥97% , CAS No.385389-39-9

CAS: 385389-39-9 Cat. No.: W418074 분자식: C₂₁H₁₇N₃O₄ 분자량: 375.37738 PubChem CID: 1935913

GRADE & PURITY ≥97%

Synonyms

ZINC2320076 | STK023813 | N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(2-methylphenoxy)acetamide

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

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

Specifications

동의어

ZINC2320076 | STK023813 | N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(2-methylphenoxy)acetamide

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

제품 특성

ALogP

3.555

HBD 수

1

회전 가능한 결합

6

이름과 식별자

Pubchem Sid

504760658

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760658

정식 스마일

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)

이성체 SMILES

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

PubChem CID

1935913

분자량

375.37738

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 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