WAY-388798 - 10mM in DMSO , CAS No.63417-81-2

CAS: 63417-81-2 Cat. No.: W425215 Fórmula: C₇H₅ClN₂OS Peso molecular: 200.65 Número CE: 101-445-4 PubChem CID: 736830

GRADE & PURITY 10mM in DMSO

Synonyms

63417-81-2|5-(chloromethyl)-3-(2-thienyl)-1,2,4-oxadiazole|5-(chloromethyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole|5-(chloromethyl)-3-thien-2-yl-1,2,4-oxadiazole|5-chloromethyl-3-thiophen-2-yl-[1,2,4]oxadiazole|5-(chloromethyl)-3-thiophen-2-yl-1,2,4-oxadiazol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

agonists of free fatty acid receptor 1 (GPR40); histone deacetylase inhibitors; antiviral agents; metabotropic glutamate receptor antagonists; potentiating effect on the activity of antibiotics; immunomodulators for inducing cytokine biosynthesis; mGluR5 receptor antagonists; tyrosine kinase inhibitors;

Specifications

Sinónimos

63417-81-2 | 5-(chloromethyl)-3-(2-thienyl)-1,2,4-oxadiazole | 5-(chloromethyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole | 5-(chloromethyl)-3-thien-2-yl-1,2,4-oxadiazole | 5-chloromethyl-3-thiophen-2-yl-[1,2,4]oxadiazole | 5-(chloromethyl)-3-thiophen-2-yl-1,2,4-oxadiazol

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528768096

Sorrisos canónicos

C1=CSC(=C1)C2=NOC(=N2)CCl

IUPAC Name

5-(chloromethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

InChIKey

YOUDLOUFERNGRO-UHFFFAOYSA-N

INCHI

1S/C7H5ClN2OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h1-3H,4H2

SMILES isoméricas

C1=CSC(=C1)C2=NOC(=N2)CCl

PubChem CID

736830

Peso molecular

200.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-oxadiazoles
• Alternative Parents: Thiophenes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-oxadiazole - Thiophene - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively.
• 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

Propriedades químicas e físicas

• Peso molecular: 200.650 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.981 Da
• Monoisotopic Mass: 199.981 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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