WAY-300194-A - 10mM in DMSO , CAS No.351332-37-1

CAS: 351332-37-1 Cat. No.: W423563 Molecular Weight: 293.40 PubChem CID: 796306

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Premature-termination-codons readthrough compounds; Premature-termination-codons readthrough compounds; Induce Read Through;

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.

Names and Identifiers

• Canonical Smiles: CNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3
• IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperazine-1-carbothioamide
• InChIKey: KSYXTHPSLVVZBD-UHFFFAOYSA-N
• INCHI: 1S/C14H19N3O2S/c1-15-14(20)17-6-4-16(5-7-17)9-11-2-3-12-13(8-11)19-10-18-12/h2-3,8H,4-7,9-10H2,1H3,(H,15,20)
• Isomeric SMILES: CNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3
• PubChem CID: 796306
• Molecular Weight: 293.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: N-alkylpiperazines Aralkylamines Benzenoids Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Tertiary amine - Thiourea - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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

• Molecular Weight: 293.390 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 293.12 Da
• Monoisotopic Mass: 293.12 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 347.000
• 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