17969-20-9 | 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$79.00	$55.00
250mg	98%	in stock	$89.00	$62.00
1g	98%	in stock	$177.00	$124.00
5g	98%	in stock	$564.00	$395.00
10g	98%	in stock	$867.00	$607.00

Description

• Catalog Number: AB02455
• Chemical Name: 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid
• CAS Number: 17969-20-9
• Molecular Formula: C11H8ClNO2S
• Molecular Weight: 253.7047
• MDL Number: MFCD00721754
• SMILES: OC(=O)Cc1csc(n1)c1ccc(cc1)Cl

Computed Properties

• Complexity: 256
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.7

Literature

• A correlation between the in vitro drug toxicity of drugs to cell lines that express human P450s and their propensity to cause liver injury in humans.

  Toxicological sciences : an official journal of the Society of Toxicology 20140101

• In vitro exploration of potential mechanisms of toxicity of the human hepatotoxic drug fenclozic acid.

  Archives of toxicology 20130801

• Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

  PLoS computational biology 20111201