123148-78-7 | 4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$13.00	$9.00
10g	98%	in stock	$16.00	$11.00
25g	98%	in stock	$29.00	$20.00
100g	98%	in stock	$102.00	$71.00

Description

• Catalog Number: AA25801
• Chemical Name: 4-Chloro-5-iodo-1h-pyrrolo[2,3-d]pyrimidine
• CAS Number: 123148-78-7
• Molecular Formula: C6H3ClIN3
• Molecular Weight: 279.4656
• MDL Number: MFCD09263258
• SMILES: Ic1c[nH]c2c1c(Cl)ncn2

Computed Properties

• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.3

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