WAY-300033 - 10mM in DMSO , CAS No.23983-05-3

CAS: 23983-05-3 Cat. No.: W422800 Peso molecular: 312.77 PubChem CID: 689165

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

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

Specifications

Sinónimos

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 |

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

• ALogP: 4.666
• Enlace rotable: 1

Nombres e identificadores

• Sonrisas canónicas: 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-
• Isómeros SMILES: C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl
• PubChem CID: 689165
• Peso molecular: 312.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 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