227598-41-6 | 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$195.00	$136.00
5g	98%	in stock	$612.00	$429.00
10g	98%	in stock	$938.00	$657.00
25g	98%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AI45411
• Chemical Name: 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
• CAS Number: 227598-41-6
• Molecular Formula: C16H11NO4
• Molecular Weight: 281.2628
• MDL Number: MFCD00553451
• SMILES: OC(=O)c1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2

Computed Properties

• Complexity: 429
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.9

Literature

• Virtual screening approaches for the identification of non-lipid autotaxin inhibitors.

  Bioorganic & medicinal chemistry 20080215