WAY-300033 - ≥98% , CAS No.23983-05-3

CAS: 23983-05-3 Cat. No.: W416818 Molecular Weight: 312.77 PubChem CID: 689165

GRADE & PURITY ≥98%

Synonyms

2-(2-Chlorobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one | HY-153577 | Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((2-chlorophenyl)methylene)- | 2-[(2-chlorophenyl)methylene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one | AKOS000322164 | BRN 0621068 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

inhibition of transthyretin amyloidosis; Inhibitors of Transthyretin Amyloidosis; anticonvulsant activity/inhibited rat brain monoamine oxidase and succinate dehydrogenase;

Specifications

Synonyms

2-(2-Chlorobenzylidene)benzo[4, 5]imidazo[2, 1-b]thiazol-3(2H)-one | HY-153577 | Thiazolo(3, 2-a)benzimidazol-3(2H)-one, 2-((2-chlorophenyl)methylene)- | 2-[(2-chlorophenyl)methylene][1, 3]thiazolo[3, 2-a]benzimidazol-3(2H)-one | AKOS000322164 | BRN 0621068 |

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 4.666
• Rotatable Bond: 1

Names and Identifiers

• Pubchem Sid: 488191148
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191148
• Canonical Smiles: C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Cl
• IUPAC Name: (2Z)-2-[(2-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• InChIKey: LSMPFFSYANAQSU-ZROIWOOFSA-N
• INCHI: 1S/C16H9ClN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl
• PubChem CID: 689165
• Molecular Weight: 312.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Chlorobenzenes N-substituted imidazoles Aryl chlorides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Thiazole - Lactam - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 312.800 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 312.012 Da
• Monoisotopic Mass: 312.012 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1