15898-26-7 | 4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$23.00	$17.00
1g	97%	in stock	$28.00	$20.00
5g	97%	in stock	$126.00	$88.00
25g	97%	in stock	$573.00	$402.00
100g	97%	in stock	$1,536.00	$1,075.00

Description

• Catalog Number: AA81546
• Chemical Name: 4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid
• CAS Number: 15898-26-7
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.2478
• MDL Number: MFCD00453921
• SMILES: OC(=O)c1ccc(cc1)n1c(C)ccc1C

Computed Properties

• Complexity: 249
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.6

Literature

• Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

  Journal of medicinal chemistry 20081225

• Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

  Bioorganic & medicinal chemistry 20080315

• Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.

  Chembiochem : a European journal of chemical biology 20051001