WAY-300033 - ≥98% , CAS No.23983-05-3

CAS: 23983-05-3 Cat. No.: W416818 분자식: C₁₆H₉ClN₂OS 분자량: 312.77 PubChem CID: 689165

등급 & 순도 ≥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

개요

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

사양

동의어

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 |

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

ALogP

4.666

회전 가능한 결합

1

이름과 식별자

Pubchem Sid

488191148

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191148

정식 스마일

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-

이성체 SMILES

C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl

PubChem CID

689165

분자량

312.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 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