Products for Research Use Only
RegisterLogin

PARP-2-IN-1 5mg

CAT: 0628-A20240-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A20240-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2115698-83-2

Chemical Information

Parp-2-IN-1
CAS Number2115698-83-2
PubChem CID132576436
IUPAC Name(3S)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoro-3-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
Molecular FormulaC21H19F4N5O3
Molecular Weight465.4
XLogP1.9
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity767
SMILES
C1CN(C[C@H]1C(=O)NC2=C(N=CC(=C2)CN3C4=CC=CC=C4C(=O)NC3=O)F)CC(F)(F)F
InChI
InChI=1S/C21H19F4N5O3/c22-17-15(27-18(31)13-5-6-29(10-13)11-21(23,24)25)7-12(8-26-17)9-30-16-4-2-1-3-14(16)19(32)28-20(30)33/h1-4,7-8,13H,5-6,9-11H2,(H,27,31)(H,28,32,33)/t13-/m0/s1
InChIKey
JZKVDRXHUJSBJE-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Parp-2-IN-1
CAS: 2115698-83-2
CID: 132576436
Formula: C21H19F4N5O3
MW: 465.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass465.14240213
Monoisotopic Mass465.14240213
Topological Polar Surface Area94.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A20240-100PARP-2-IN-1 100mg
A20240-50PARP-2-IN-1 50mg
A20240-25PARP-2-IN-1 25mg
A20240-10PARP-2-IN-1 10mg
A20240-1PARP-2-IN-1 1mg
A23009-5PAR-2 (1-6) (human) 5mg
A19065-5Cav 2.2 blocker 1 5mg
A14888-5Angiotensin 1/2 + A (2 - 8) 5mg
A14887-5Angiotensin 1/2 (1-6) 5mg
A14886-5Angiotensin 1/2 (1-5) 5mg

Alternative Products

CatalogName
BA3208-5PARP-1-IN-2
T12364-01PARP-2-IN-1
MBS5815120PARP-2/1-IN-2
T78787-01PARP-1/2-IN-2
T62508-01PARP-1/2-IN-1

Popular Products