Home Aminos 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

CAS No.:
755038-02-9
Catalog Number:
AG00G2LA
Molecular Formula:
C28H39N7O3
Molecular Weight:
521.6544
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$97
- +
5mg
≥95%
1 week
United States
$187
- +
10mg
≥95%
1 week
United States
$258
- +
50mg
≥95%
1 week
United States
$923
- +
100mg
99%
1 week
United States
$1483
- +
Product Description
Catalog Number:
AG00G2LA
Chemical Name:
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CAS Number:
755038-02-9
Molecular Formula:
C28H39N7O3
Molecular Weight:
521.6544
MDL Number:
MFCD10565924
IUPAC Name:
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
InChI:
InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChI Key:
XQVVPGYIWAGRNI-JOCHJYFZSA-N
SMILES:
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C
UNII:
4LJG22T9C6
Properties
Complexity:
816  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
521.311g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
521.666g/mol
Monoisotopic Mass:
521.311g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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BI 2536, a potent and selective inhibitor of polo-like kinase 1, inhibits tumor growth in vivo. Current biology : CB 20070220
Properties