WAY-239593 - 10mM in DMSO , CAS No.409357-43-3

CAS: 409357-43-3 Cat. No.: W423863 Molecular Weight: 356.48 PubChem CID: 1167278

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

inhibit synaptic hyperexcitability

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 2.231
• HBD Count: 1
• Rotatable Bond: 7

Names and Identifiers

• Pubchem Sid: 528767734
• Canonical Smiles: CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NCCN2CCOCC2)OC
• IUPAC Name: 2-methoxy-4-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
• InChIKey: DUNGHTBUPZADNI-UHFFFAOYSA-N
• INCHI: 1S/C17H28N2O4S/c1-13(2)15-12-17(16(22-4)11-14(15)3)24(20,21)18-5-6-19-7-9-23-10-8-19/h11-13,18H,5-10H2,1-4H3
• Isomeric SMILES: CC1=CC(=C(C=C1C(C)C)S(=O)(=O)NCCN2CCOCC2)OC
• PubChem CID: 1167278
• Molecular Weight: 356.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds
• Direct Parent: P-toluenesulfonamides
• Alternative Parents: Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Cumenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Morpholines Organosulfonamides Aminosulfonyl compounds Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-toluenesulfonamide - Benzenesulfonamide - Cumene - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Morpholine - Oxazinane - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide 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

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 356.500 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 356.177 Da
• Monoisotopic Mass: 356.177 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 471.000
• 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