50892-62-1 | 8-Chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$82.00	$58.00
5g	97%	in stock	$235.00	$165.00
10g	97%	in stock	$299.00	$209.00
25g	97%	in stock	$441.00	$309.00
100g	97%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AG24434
• Chemical Name: 8-Chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]-diazepin-11-one
• CAS Number: 50892-62-1
• Molecular Formula: C13H9ClN2O
• Molecular Weight: 244.6764
• MDL Number: MFCD01863368
• SMILES: Clc1ccc2c(c1)NC(=O)c1c(N2)cccc1

Computed Properties

• Complexity: 310
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• XLogP3: 3

Literature

• Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

  Journal of medicinal chemistry 20090528

• Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors.

  Journal of medicinal chemistry 20070823