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AZ6102

CAT: 0607-B6162-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6162-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TNKS1/2 inhibitor
CAS Number
1645286-75-4
Product Name Alternative
2-(4-(6-((3S,5R)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Field of Research
DNA Damage DNA Repair tankyrase
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C1NC(C2=CC=C(C3=CN=C(N4C[C@H](C)N[C@H](C)C4)C=C3C)C=C2)=NC5=C1C=CN5C
Molecular Formula
C25H28N6O
Molecular Weight
428.53
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Number1645286-75-4
PubChem CID135905416
IUPAC Name2-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC25H28N6O
Molecular Weight428.5
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity709
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4
InChI
InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
InChIKey
WCPTUQOMNJBIET-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS: 1645286-75-4
CID: 135905416
Formula: C25H28N6O
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass428.23245954
Monoisotopic Mass428.23245954
Topological Polar Surface Area74.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12975-01AZ6102
A15873-100AZ6102 100mg
A15873-10AZ6102 10mg
A15873-50AZ6102 50mg
A15873-25AZ6102 25mg
A15873-5AZ6102 5mg
A15873-2AZ6102 2mg
A15873-10mM-DAZ6102 10mM * 1mL in DMSO

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