6314-28-9 | Benzo[b]thiophene-2-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$13.00	$9.00
5g	98%	in stock	$15.00	$11.00
10g	98%	in stock	$25.00	$18.00
15g	98%	in stock	$31.00	$22.00
25g	98%	in stock	$44.00	$31.00

Description

• Catalog Number: AB79652
• Chemical Name: Benzo[b]thiophene-2-carboxylic acid
• CAS Number: 6314-28-9
• Molecular Formula: C9H6O2S
• Molecular Weight: 178.20773999999997
• MDL Number: MFCD00051636
• SMILES: OC(=O)c1cc2c(s1)cccc2

Computed Properties

• Complexity: 193
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.8

Literature

• Identification of novel CYP2A6 inhibitors by virtual screening.

  Bioorganic & medicinal chemistry 20111201

• Metabolites indicate hot spots of biodegradation and biogeochemical gradients in a high-resolution monitoring well.

  Environmental science & technology 20110115

• Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor.

  Bioorganic & medicinal chemistry letters 20090801

• Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

  Journal of medicinal chemistry 20040506

• Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer.

  Environmental science & technology 20040115

• Studies on osteoporosis IV. Effect of benzo[b]thiophene-2- and dibenzothiophene-4-carboxylic acid on heparin accelerated osteoporosis.

  Journal of medicine 19800101