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Pf-4840154

CAS No.:
1332708-14-1
Catalog Number:
AG0014IN
Molecular Formula:
C26H38N6O2
Molecular Weight:
466.6189
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:
AG0014IN
Chemical Name:
Pf-4840154
CAS Number:
1332708-14-1
Molecular Formula:
C26H38N6O2
Molecular Weight:
466.6189
MDL Number:
MFCD28385599
IUPAC Name:
N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
InChI:
InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
InChI Key:
PPANZCQXFYBGHN-UHFFFAOYSA-N
SMILES:
CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C
Properties
Complexity:
606  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.306g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
466.63g/mol
Monoisotopic Mass:
466.306g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Design and pharmacological evaluation of PF-4840154, a non-electrophilic reference agonist of the TrpA1 channel. Bioorganic & medicinal chemistry letters 20110815
Properties