CID 1375606 - ≥98% , CAS No.313493-80-0

CAS: 313493-80-0 Cat. No.: C288767 Summenformel: C₂₀H₁₄Cl₂N₂O₂ Molekulargewicht: 385.24

GRADE & PURITY ≥98%

Synonyms

2,4-Dichloro-N-(phenylcarbamoyl)phenylbenzamide | 2,4-Dichloro-N-[4-[(phenylamino)carbonyl]phenyl]-benzamide | N-[4-(Anilinocarbonyl)phenyl]-2,4-dichlorobenzamide

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2,4-Dichloro-N-(phenylcarbamoyl)phenylbenzamide | 2,4-Dichloro-N-[4-[(phenylamino)carbonyl]phenyl]-benzamide | N-[4-(Anilinocarbonyl)phenyl]-2,4-dichlorobenzamide

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

GPR27 agonist. Promotes recruitment of β-arrestin 2 to chimeric GPR27V2and wild-type GPR27 in a firefly luciferase complementation assay (pEC50values are 6.34 and 5.1, respectively).

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504760473
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760473
• Kanonisches Lächeln: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
• IUPAC Name: 2,4-dichloro-N-[4-(phenylcarbamoyl)phenyl]benzamide
• InChIKey: PFHDXBXPRBQVAV-UHFFFAOYSA-N
• INCHI: 1S/C20H14Cl2N2O2/c21-14-8-11-17(18(22)12-14)20(26)24-16-9-6-13(7-10-16)19(25)23-15-4-2-1-3-5-15/h1-12H,(H,23,25)(H,24,26)
• Isomere SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
• Molekulargewicht: 385.24
• Reaxy-Rn: 31155704
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31155704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 38.52, Max Conc. mM: 100
• Molekulargewicht: 385.200 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 384.043 Da
• Monoisotopic Mass: 384.043 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 488.000
• 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

Häufig gestellte Fragen

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 313493-80-0, the molecular formula is C??H??Cl?N?O?, and the molecular weight is 385.24 g/mol. InChIKey PFHDXBXPRBQVAV-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.