SW106065 - Moligand™, ≥98% , CAS No.62289-81-0

CAS: 62289-81-0 Cat. No.: T668519 Formule: C₁₀H₈N₂OS Poids moléculaire: 204.25 PubChem CID: 790407

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

2-Thiophenecarboxamide, N-3-pyridinyl-|N-pyridin-3-ylthiophene-2-carboxamide|N-(pyridin-3-yl)thiophene-2-carboxamide|SW-106065|SW106065|3-pyridyl thiophene-2-carboxamide|N-3-pyridinyl-2-thiophenecarboxamide|SDCCGMLS-0043995.P002|N-(3-Pyridinyl)-2-thiophenecarboxamide|N-(3-PYRIDYL)-2-THIOPHENECARBOXAMIDE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

2-Thiophenecarboxamide, N-3-pyridinyl- | N-pyridin-3-ylthiophene-2-carboxamide | N-(pyridin-3-yl)thiophene-2-carboxamide | SW-106065 | SW106065 | 3-pyridyl thiophene-2-carboxamide | N-3-pyridinyl-2-thiophenecarboxamide | SDCCGMLS-0043995.P002 | N-(3-Pyridinyl)-2-thiophenecarboxamide | N-(3-PYRIDYL)-2-THIOPHENECARBOXAMIDE

Spécifications et pureté

Moligand™, ≥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.

Grade

Moligand™

Type d'action

ACTIVATOR

Pureté

≥98%

Propriétés du produit

ALogP

1.7

Noms et identifiants

Pubchem Sid

528767237

Sourires canoniques

C1=CC(=CN=C1)NC(=O)C2=CC=CS2

IUPAC Name

N-pyridin-3-ylthiophene-2-carboxamide

InChIKey

UPLHUDRMLWWFRE-UHFFFAOYSA-N

INCHI

1S/C10H8N2OS/c13-10(9-4-2-6-14-9)12-8-3-1-5-11-7-8/h1-7H,(H,12,13)

Isomères SMILES

C1=CC(=CN=C1)NC(=O)C2=CC=CS2

PubChem CID

790407

Poids moléculaire

204.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2-heteroaryl carboxamides Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiophene carboxamide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 204.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.036 Da
• Monoisotopic Mass: 204.036 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• 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