WAY-639461 - ≥95% , CAS No.339103-05-8

CAS: 339103-05-8 Cat. No.: W417816 Peso molecular: 292.12 PubChem CID: 702923

GRADE & PURITY ≥95%

Synonyms

2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine | WAY-639461 | DTXSID101203507 | 5-(2,4-dichlorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole | STK185549 | 5-(2,4-Dichlorophenyl)-3-(pyridin-2-yl)-1,2,4-oxadiazole | AKOS000643347 | 8K-369S | SR-010005017

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

mGluR5 neg. allosteric modulator

Specifications

Sinónimos

2-[5-(2, 4-dichlorophenyl)-1, 2, 4-oxadiazol-3-yl]pyridine | WAY-639461 | DTXSID101203507 | 5-(2, 4-dichlorophenyl)-3-pyridin-2-yl-1, 2, 4-oxadiazole | STK185549 | 5-(2, 4-Dichlorophenyl)-3-(pyridin-2-yl)-1, 2, 4-oxadiazole | AKOS000643347 | 8K-369S | SR-010005017

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504759941
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759941
• Sonrisas canónicas: C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)Cl
• IUPAC Name: 5-(2,4-dichlorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
• InChIKey: WBMHQMQALJDGHI-UHFFFAOYSA-N
• INCHI: 1S/C13H7Cl2N3O/c14-8-4-5-9(10(15)7-8)13-17-12(18-19-13)11-3-1-2-6-16-11/h1-7H
• Isómeros SMILES: C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)Cl
• PubChem CID: 702923
• Peso molecular: 292.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles
        • Level5 1,2,4-oxadiazoles
          • Level6 Phenyloxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: 1,2,4-oxadiazoles
• Direct Parent: Phenyloxadiazoles
• Alternative Parents: Dichlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-oxadiazole - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 292.120 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 290.997 Da
• Monoisotopic Mass: 290.997 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 308.000
• 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