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UNC0631

CAS No.:
1320288-19-4
Catalog Number:
AG009CFA
Molecular Formula:
C37H61N7O2
Molecular Weight:
635.9259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$190
- +
10mg
≥98%
1 week
United States
$300
- +
25mg
≥98%
1 week
United States
$568
- +
Product Description
Catalog Number:
AG009CFA
Chemical Name:
UNC0631
CAS Number:
1320288-19-4
Molecular Formula:
C37H61N7O2
Molecular Weight:
635.9259
MDL Number:
MFCD22683862
IUPAC Name:
N-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
InChI:
InChI=1S/C37H61N7O2/c1-29(2)43-19-10-20-44(24-23-43)37-39-33-27-35(46-25-11-18-41-16-8-5-9-17-41)34(45-3)26-32(33)36(40-37)38-31-14-21-42(22-15-31)28-30-12-6-4-7-13-30/h26-27,29-31H,4-25,28H2,1-3H3,(H,38,39,40)
InChI Key:
XFAXSWXKPQWHDW-UHFFFAOYSA-N
SMILES:
COc1cc2c(NC3CCN(CC3)CC3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Properties
Complexity:
861  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.489g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
635.942g/mol
Monoisotopic Mass:
635.489g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Literature
Title Journal
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. Journal of medicinal chemistry 20110908
Properties