UKTT15

CAT: 0931-T87594-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T87594-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2468199-58-6

Target

PARP

Related Pathways

DNA Damage/DNA Repair, Chromatin/Epigenetic

Bioactivity

UKTT15 (compound 6) functions as an allosteric inhibitor of PARP1 [1].

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate

CAS Number	2468199-58-6
PubChem CID	145865292
IUPAC Name	methyl 2-[4-[4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoyl]piperazin-1-yl]pyrimidine-5-carboxylate
Molecular Formula	C25H23N7O4
Molecular Weight	485.5
XLogP	1.5
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	804

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

CAS: 2468199-58-6

CID: 145865292

Formula: C25H23N7O4

MW: 485.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	485.5
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	485.18115224
Monoisotopic Mass	485.18115224
Topological Polar Surface Area	147 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	804
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-161288-01	UKTT15

UKTT15

Chemical Information

Alternative Products

Popular Products