306935-41-1 | 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$30.00	$21.00
1g	98%	in stock	$74.00	$52.00
5g	98%	in stock	$251.00	$176.00
10g	98%	in stock	$403.00	$282.00
25g	98%	in stock	$713.00	$499.00

Description

• Catalog Number: AB40913
• Chemical Name: 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
• CAS Number: 306935-41-1
• Molecular Formula: C10H11N3O2
• Molecular Weight: 205.2132
• MDL Number: MFCD01570664
• SMILES: OC(=O)c1ccc2c(c1)nnn2C(C)C

Computed Properties

• Complexity: 257
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.5

Literature

• Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase.

  Journal of medicinal chemistry 20120412

• Nicotinic acid receptor agonists.

  Journal of medicinal chemistry 20081225

• 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.

  Journal of medicinal chemistry 20060223