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PFI3

CAS No.:
1819363-80-8
Catalog Number:
AG00ABOV
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$161
- +
10mg
≥98%
1 week
United States
$248
- +
25mg
≥98%
1 week
United States
$491
- +
50mg
98%
1 week
United States
$723
- +
Product Description
Catalog Number:
AG00ABOV
Chemical Name:
PFI3
CAS Number:
1819363-80-8
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
MDL Number:
MFCD28100807
IUPAC Name:
(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
InChI:
InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
InChI Key:
INAICWLVUAKEPB-QSTFCLMHSA-N
SMILES:
O=C(c1ccccc1O)/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
BRG1 in the Nucleus Accumbens Regulates Cocaine-Seeking Behavior. Biological psychiatry 20161101
Identification of a Chemical Probe for Family VIII Bromodomains through Optimization of a Fragment Hit. Journal of medicinal chemistry 20160526
Properties