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Pkr-in-1

CAS No.:
1260075-17-9
Catalog Number:
AG009CJP
Molecular Formula:
C24H26N4O3S
Molecular Weight:
450.5532
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$348
- +
50mg
99%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG009CJP
Chemical Name:
Pkr-in-1
CAS Number:
1260075-17-9
Molecular Formula:
C24H26N4O3S
Molecular Weight:
450.5532
MDL Number:
MFCD26936342
IUPAC Name:
N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
InChI:
InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2
InChI Key:
XAYGBKHKBBXDAK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1
UNII:
2WTV10SIKH
Properties
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.173g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
450.557g/mol
Monoisotopic Mass:
450.173g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties