1906919-67-2 | BAY 598 - Bio-X

Packsize	Purity	Availability	Price	Discounted Price
1mg	99%	in stock	$68.00	$47.00
5mg	99%	in stock	$172.00	$120.00
10mg	99%	in stock	$258.00	$180.00
25mg	99%	in stock	$436.00	$305.00
50mg	99%	in stock	$742.00	$519.00
100mg	99%	in stock	$1,259.00	$881.00
250mg	99%	in stock	$2,140.00	$1,498.00

Description

• Catalog Number: AX53463
• Chemical Name: BAY 598 - Bio-X
• CAS Number: 1906919-67-2
• Molecular Formula: C22H20Cl2F2N6O3
• Molecular Weight: 525.3354
• MDL Number: MFCD30146419
• SMILES: N#C/N=C(N1C[C@@H](C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)/Nc1cccc(c1)OC(F)F

Computed Properties

• Complexity: 854
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 35
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 9
• XLogP3: 4.4

Literature

• Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2.

  Journal of medicinal chemistry 20160526