WAY-328173 - ≥98% , CAS No.912790-59-1

CAS: 912790-59-1 Cat. No.: W417287 Formula: C₁₆H₁₅ClN₄O₂ Peso molecolare: 330.77 PubChem CID: 17252727

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

modulating CFTR activity; restore E-cadherin expression in the SW620 colon adenocarcinoma cell line; anti-restenosis activity and accelerates reendothelization; activator of Wnt/b-catenin signal transmission;

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥98%

Proprietà del prodotto

ALogP

2.199

Conteggio HBD

1

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

504768574

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768574

Sorrisi canonici

C1=CC(=CC=C1C2=CC(=NO2)C(=O)NCCCN3C=CN=C3)Cl

IUPAC Name

5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

InChIKey

KMPHWAGSDPATHS-UHFFFAOYSA-N

INCHI

1S/C16H15ClN4O2/c17-13-4-2-12(3-5-13)15-10-14(20-23-15)16(22)19-6-1-8-21-9-7-18-11-21/h2-5,7,9-11H,1,6,8H2,(H,19,22)

Isomeri SMILES

C1=CC(=CC=C1C2=CC(=NO2)C(=O)NCCCN3C=CN=C3)Cl

PubChem CID

17252727

Peso molecolare

330.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: Chlorobenzenes N-substituted imidazoles Aryl chlorides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Isoxazole - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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: 330.770 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 330.088 Da
• Monoisotopic Mass: 330.088 Da
• Topological Polar Surface Area: 73.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 390.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 912790-59-1, the molecular formula is C16H15ClN4O2, and the molecular weight is 330.77 g/mol. InChIKey KMPHWAGSDPATHS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.