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CEP-8983

CAT: 0931-T26979-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26979-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
374071-46-2
Target
Others, PARP
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, Others
Bioactivity
CEP-8983 is a PARP inhibitor potentially for the treatment of solid tumours.
Smiles
O=C1C2=C3C(=C4C(=C2C(=O)N1)CCC4)NC=5C3=C(OC)C=CC5
Molecular Formula
C18H14N2O3
Molecular Weight
306.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cep 8983

inhibits PAR polymerase-1 and PAR polymerase-2; structure in first source

CAS Number374071-46-2
PubChem CID23584940
IUPAC Name14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
Molecular FormulaC18H14N2O3
Molecular Weight306.3
XLogP3
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity550
SMILES
COC1=CC=CC2=C1C3=C(N2)C4=C(CCC4)C5=C3C(=O)NC5=O
InChI
InChI=1S/C18H14N2O3/c1-23-11-7-3-6-10-13(11)14-15-12(17(21)20-18(15)22)8-4-2-5-9(8)16(14)19-10/h3,6-7,19H,2,4-5H2,1H3,(H,20,21,22)
InChIKey
BWVHYDYUKQEFHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cep 8983
CAS: 374071-46-2
CID: 23584940
Formula: C18H14N2O3
MW: 306.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass306.10044231
Monoisotopic Mass306.10044231
Topological Polar Surface Area71.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes