WAY-607632 - 10mM in DMSO , CAS No.440638-20-0

CAS: 440638-20-0 Cat. No.: W423987 Formule: C₁₆H₁₆N₄S Poids moléculaire: 296.4 Numéro CE: 650-441-3 PubChem CID: 788513

GRADE & PURITY 10mM in DMSO

Synonyms

4-[5-(benzylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine|440638-20-0|4-(5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine|4-[5-(benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine|Enamine_003461|Cambridge id 7117961|HMS1403N07|STK017665|AKOS0010191

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

increasing stress tolerance in plants

Specifications

Synonymes

4-[5-(benzylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine | 440638-20-0 | 4-(5-(Benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine | 4-[5-(benzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine | Enamine_003461 | Cambridge id 7117961 | HMS1403N07 | STK017665 | AKOS0010191

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

3.19

Liaison rotative

5

Noms et identifiants

Pubchem Sid

528768165

Sourires canoniques

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3

IUPAC Name

4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)pyridine

InChIKey

WWOIKNZOVDZDAT-UHFFFAOYSA-N

INCHI

1S/C16H16N4S/c1-2-20-15(14-8-10-17-11-9-14)18-19-16(20)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

Isomères SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3

PubChem CID

788513

Poids moléculaire

296.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Alkylarylthioethers Benzene and substituted derivatives Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
• 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 296.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 296.11 Da
• Monoisotopic Mass: 296.11 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 303.000
• 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