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UKTT15

CAT: 0013-GTR19235068-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235068-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UKTT15 (compound 6) is a potent allosteric PARP1 inhibitor. This small molecule is a valuable research tool for investigating PARP1 biology and has demonstrated utility in both in vitro enzymatic assays and in vivo models of cancer and other PARP-related pathologies.
CAS Number
2468199-58-6
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (N) (=O) C1=C2C (N=C (N2) C3=CC=C (C (=O) N4CCN (CC4) C=5N=CC (C (OC) =O) =CN5) C=C3) =CC=C1
Molecular Formula
C25H23N7O4
Molecular Weight
485.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
CAS Number2468199-58-6
PubChem CID145865292
IUPAC Namemethyl 2-[4-[4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoyl]piperazin-1-yl]pyrimidine-5-carboxylate
Molecular FormulaC25H23N7O4
Molecular Weight485.5
XLogP1.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity804
SMILES
COC(=O)C1=CN=C(N=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5N4)C(=O)N
InChI
InChI=1S/C25H23N7O4/c1-36-24(35)17-13-27-25(28-14-17)32-11-9-31(10-12-32)23(34)16-7-5-15(6-8-16)22-29-19-4-2-3-18(21(26)33)20(19)30-22/h2-8,13-14H,9-12H2,1H3,(H2,26,33)(H,29,30)
InChIKey
ASPUHGRKEUIGTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
CAS: 2468199-58-6
CID: 145865292
Formula: C25H23N7O4
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass485.18115224
Monoisotopic Mass485.18115224
Topological Polar Surface Area147 Ų
Heavy Atom Count36
Formal Charge0
Complexity804
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

Alternative Products

CatalogName
T87594-01UKTT15

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