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Pkr-in-2

CAS No.:
1628428-01-2
Catalog Number:
AG00ABPR
Molecular Formula:
C24H28N4O4S
Molecular Weight:
468.5685
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00ABPR
Chemical Name:
Pkr-in-2
CAS Number:
1628428-01-2
Molecular Formula:
C24H28N4O4S
Molecular Weight:
468.5685
MDL Number:
MFCD29472293
IUPAC Name:
N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
InChI:
InChI=1S/C24H28N4O4S/c1-17(2)16-24(30)10-14-28(15-11-24)23(29)18-6-8-19(9-7-18)27-33(31,32)21-5-3-4-20-22(21)26-13-12-25-20/h3-9,12-13,17,27,30H,10-11,14-16H2,1-2H3
InChI Key:
JTGUGSWLWPKCGF-UHFFFAOYSA-N
SMILES:
CC(CC1(O)CCN(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccn2)C
UNII:
WLI3QP8XYK
Properties
Complexity:
768  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.183g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
468.572g/mol
Monoisotopic Mass:
468.183g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties