WAY-640879 - 10mM in DMSO , CAS No.851212-80-1

CAS: 851212-80-1 Cat. No.: W426264 Formula: C₂₄H₂₄N₂O₅S Peso molecolare: 452.52 PubChem CID: 4880561

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS030579953 | N-(4-methyl-3-(morpholinosulfonyl)phenyl)-2-phenoxybenzamide | MS-28228 | HY-148137 | Z26476661 | BDBM50423206 | WAY-640879 | DTXSID10406695 | CB1 agonist 1 | EX-A6447 | N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide | Benz

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

agonist for CB1 receptor

Specifications

Sinonimi

AKOS030579953 | N-(4-methyl-3-(morpholinosulfonyl)phenyl)-2-phenoxybenzamide | MS-28228 | HY-148137 | Z26476661 | BDBM50423206 | WAY-640879 | DTXSID10406695 | CB1 agonist 1 | EX-A6447 | N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide | Benz

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

3.465

Conteggio HBD

1

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

528768347

Sorrisi canonici

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

IUPAC Name

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide

InChIKey

HASYDUIFQCRDMA-UHFFFAOYSA-N

INCHI

1S/C24H24N2O5S/c1-18-11-12-19(17-23(18)32(28,29)26-13-15-30-16-14-26)25-24(27)21-9-5-6-10-22(21)31-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,25,27)

Isomeri SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

PubChem CID

4880561

Peso molecolare

452.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Diphenylethers Diarylethers Benzenesulfonamides Benzamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Organosulfonamides Morpholines Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Diphenylether - Diaryl ether - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenol ether - Toluene - Morpholine - Oxazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 452.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 452.141 Da
• Monoisotopic Mass: 452.141 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 712.000
• 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