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NCT-501

CAS No.:
1802088-50-1
Catalog Number:
AG00ABOL
Molecular Formula:
C21H32N6O3
Molecular Weight:
416.5172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$119
- +
5mg
≥98%
1 week
United States
$322
- +
10mg
99%
1 week
United States
$490
- +
25mg
≥98%
1 week
United States
$1072
- +
50mg
99%
1 week
United States
$1707
- +
100mg
99%
1 week
United States
$2723
- +
Product Description
Catalog Number:
AG00ABOL
Chemical Name:
NCT-501
CAS Number:
1802088-50-1
Molecular Formula:
C21H32N6O3
Molecular Weight:
416.5172
MDL Number:
MFCD29472261
IUPAC Name:
8-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
InChI:
InChI=1S/C21H32N6O3/c1-14(2)7-8-27-16(22-18-17(27)20(29)24(4)21(30)23(18)3)13-25-9-11-26(12-10-25)19(28)15-5-6-15/h14-15H,5-13H2,1-4H3
InChI Key:
FSXIBBYWVGWQJL-UHFFFAOYSA-N
SMILES:
CC(CCn1c(CN2CCN(CC2)C(=O)C2CC2)nc2c1c(=O)n(c(=O)n2C)C)C
Properties
Complexity:
688  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.254g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.526g/mol
Monoisotopic Mass:
416.254g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties