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

CAS: 743444-82-8 Cat. No.: W425787 Summenformel: C₈H₁₂N₄O₂S Molekulargewicht: 228.27 EG-Nummer: 193-264-2 PubChem CID: 2113379

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

NK-3 receptor antagonists

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

• ALogP: -0.385
• HBD-Zahl: 2
• Rotationsfähige Bindung: 2

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: C1COCCN1C2=NC(=CS2)C(=O)NN
• PubChem CID: 2113379
• Molekulargewicht: 228.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiazoles
        • Ebene5 Thiazolecarboxylic acids and derivatives
          • Ebene6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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