WAY-345115 - 10mM in DMSO , CAS No.743444-82-8

CAS: 743444-82-8 Cat. No.: W425787 Formula: C₈H₁₂N₄O₂S Peso molecolare: 228.27 Numero EC: 193-264-2 PubChem CID: 2113379

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

NK-3 receptor antagonists

Specifications

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

• ALogP: -0.385
• Conteggio HBD: 2
• Legame rotabile: 2

Nomi e identificatori

• Sorrisi canonici: C1COCCN1C2=NC(=CS2)C(=O)NN
• IUPAC Name: 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
• InChIKey: PYGOQUVVURRPDE-UHFFFAOYSA-N
• INCHI: 1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13)
• Isomeri SMILES: C1COCCN1C2=NC(=CS2)C(=O)NN
• PubChem CID: 2113379
• Peso molecolare: 228.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: Dialkylarylamines 2,4-disubstituted thiazoles Morpholines 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxamide - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Morpholine - Oxazinane - 1,3-thiazol-2-amine - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 228.270 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 228.068 Da
• Monoisotopic Mass: 228.068 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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