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K-756

CAT: 0931-T15639-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T15639-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130017-40-2
Target
PARP, Wnt/beta-catenin
Related Pathways
Chromatin/Epigenetic, Stem Cells, DNA Damage/DNA Repair, Cytoskeletal Signaling
Purity
0.9981
Bioactivity
K-756 is a direct and selective inhibitor of tankyrase (TNKS), inhibiting the ADP-ribosylation activity of TNKS1 [IC50 = 31 nM] and TNKS2 [IC50 = 36 nM].
Smiles
COc1cc2ncnc(N3CCC(CN4Cc5ccccc5NC4=O)CC3)c2cc1OC
Molecular Formula
C24H27N5O3
Molecular Weight
433.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl)methyl)-3,4-dihydro-2(1H)-quinazolinone
CAS Number130017-40-2
PubChem CID14668434
IUPAC Name3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
Molecular FormulaC24H27N5O3
Molecular Weight433.5
XLogP3.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity643
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CN4CC5=CC=CC=C5NC4=O)OC
InChI
InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)
InChIKey
GWXCGEJJQFHPPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl)methyl)-3,4-dihydro-2(1H)-quinazolinone
CAS: 130017-40-2
CID: 14668434
Formula: C24H27N5O3
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass433.21138974
Monoisotopic Mass433.21138974
Topological Polar Surface Area79.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity643
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

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Alternative Products

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GTR17964330Let-756 Antibody
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