WAY-325282 - ≥98% , CAS No.341944-06-7

CAS: 341944-06-7 Cat. No.: W417079 Fórmula: C₉H₉ClN₄S Peso molecular: 240.71 PubChem CID: 732052

GRADE & PURITY ≥98%

Synonyms

5-{[(2-Chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

inhibiting RpMetAP; altering the lifespan of a eukaryotic organism; methionine aminopeptidase 2 inhibitors; modulators of cell adhesion;

Specifications

Sinónimos

5-{[(2-Chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504760015
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760015
• Sorrisos canónicos: C1=CC=C(C(=C1)CSC2=NNC(=N2)N)Cl
• IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
• InChIKey: ZNOCPAKIRUVGCS-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClN4S/c10-7-4-2-1-3-6(7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14)
• SMILES isoméricas: C1=CC=C(C(=C1)CSC2=NNC(=N2)N)Cl
• PubChem CID: 732052
• Peso molecular: 240.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Chlorobenzenes Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organochloride - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Alvos associados (humanos)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 240.710 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.024 Da
• Monoisotopic Mass: 240.024 Da
• Topological Polar Surface Area: 92.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 207.000
• 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