sales@angenesci.com
Login | Register
logo
Structures Search
Home Carbonyls 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

CAS No.:
763111-47-3
Catalog Number:
AG00G3MU
Molecular Formula:
C20H19FN4O2
Molecular Weight:
366.3889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$94
- +
10g
97%
In Stock USA
United States
$157
- +
25g
97%
In Stock USA
United States
$375
- +
100g
97%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00G3MU
Chemical Name:
4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
CAS Number:
763111-47-3
Molecular Formula:
C20H19FN4O2
Molecular Weight:
366.3889
MDL Number:
MFCD18251631
IUPAC Name:
4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
InChI:
InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)
InChI Key:
MFFUYEOGICAKCK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(=O)N1CCNCC1)Cc1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
605  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.149g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
366.396g/mol
Monoisotopic Mass:
366.149g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1. Journal of medicinal chemistry 20081023
Properties