TNKS-IN-41

CAT: 0931-T24891-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T24891-01Size:25 mg

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

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CAS Number

1584646-59-2

Target

Others, PARP

Related Pathways

Chromatin/Epigenetic, DNA Damage/DNA Repair, Others

Bioactivity

TNKS-IN-41 highly potent and selective inhibitor of tankyrase.

Smiles

N(C=1C=2N(C=3C(N1)=CC=CC3)N=NN2)C4=CC=C(C(=O)N5CCN(C(=O)C=6C=CN(C)N6)CC5)C=C4

Molecular Formula

C24H22N10O2

Molecular Weight

482.5

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Tnks-IN-41

CAS Number	1584646-59-2
PubChem CID	73442233
IUPAC Name	[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
Molecular Formula	C24H22N10O2
Molecular Weight	482.5
XLogP	1.6
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	36
Formal Charge	0
Complexity	800

SMILES

CN1C=CC(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5N6C4=NN=N6

InChI

InChI=1S/C24H22N10O2/c1-31-11-10-19(28-31)24(36)33-14-12-32(13-15-33)23(35)16-6-8-17(9-7-16)25-21-22-27-29-30-34(22)20-5-3-2-4-18(20)26-21/h2-11H,12-15H2,1H3,(H,25,26)

InChIKey

GICAIQRFKFERCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1584646-59-2

CID: 73442233

Formula: C24H22N10O2

MW: 482.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.5
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	482.19271998
Monoisotopic Mass	482.19271998
Topological Polar Surface Area	126 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	800
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

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Chemical Information

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