WAY-606529 - ≥98% , CAS No.326879-46-3

CAS: 326879-46-3 Cat. No.: W417599 Formule: C₁₅H₁₄N₂OS Poids moléculaire: 270.35 PubChem CID: 3863359

GRADE & PURITY ≥98%

Synonyms

2-Phenyl-3-(2-pyridinylmethyl)-4-thiazolidinone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Trypanosoma brucei N-Myristoyltransferase Inhibitor

Specifications

Synonymes

2-Phenyl-3-(2-pyridinylmethyl)-4-thiazolidinone

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥98%

Propriétés du produit

ALogP

2.31

Liaison rotative

3

Noms et identifiants

Pubchem Sid

488194618

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194618

Sourires canoniques

C1C(=O)N(C(S1)C2=CC=CC=C2)CC3=CC=CC=N3

IUPAC Name

2-phenyl-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

InChIKey

OUFWVMWVSGJVGV-UHFFFAOYSA-N

INCHI

1S/C15H14N2OS/c18-14-11-19-15(12-6-2-1-3-7-12)17(14)10-13-8-4-5-9-16-13/h1-9,15H,10-11H2

Isomères SMILES

C1C(=O)N(C(S1)C2=CC=CC=C2)CC3=CC=CC=N3

PubChem CID

3863359

Poids moléculaire

270.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Lactam - Carboxamide group - Dialkylthioether - Thioether - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Cibles associées (humaines)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 270.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 270.083 Da
• Monoisotopic Mass: 270.083 Da
• Topological Polar Surface Area: 58.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1