66947-92-0 | 2-Amino-benzothiazole-6-carboxylic acid methyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$25.00	$18.00
10g	98%	in stock	$46.00	$33.00
25g	98%	in stock	$102.00	$72.00

Description

• Catalog Number: AH13482
• Chemical Name: 2-Amino-benzothiazole-6-carboxylic acid methyl ester
• CAS Number: 66947-92-0
• Molecular Formula: C9H8N2O2S
• Molecular Weight: 208.237
• MDL Number: MFCD00468672
• SMILES: COC(=O)c1ccc2c(c1)sc(n2)N

Computed Properties

• Complexity: 237
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.9

Literature

• One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

  Journal of medicinal chemistry 20090723