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AZ0108

CAT: 0013-GTR19209854-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209854-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZ0108
CAS Number
1825345-52-5
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (C) (F) (F) C=1N2C (CN (C (=O) C3=CC (C (F) (F) C=4C=5C (C (=O) NN4) =CC=CC5) =CC=C3) [C@@H] (C) C2) =NN1
Molecular Formula
C24H20F4N6O2
Molecular Weight
500.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AZ0108

an orally bioavailable PARP inhibitor that blocks centrosome clustering; structure in first source

CAS Number1825345-52-5
PubChem CID122423373
IUPAC Name4-[[3-[(6S)-3-(1,1-difluoroethyl)-6-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]-difluoromethyl]-2H-phthalazin-1-one
Molecular FormulaC24H20F4N6O2
Molecular Weight500.4
XLogP2.8
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity917
SMILES
C[C@H]1CN2C(=NN=C2C(C)(F)F)CN1C(=O)C3=CC(=CC=C3)C(C4=NNC(=O)C5=CC=CC=C54)(F)F
InChI
InChI=1S/C24H20F4N6O2/c1-13-11-34-18(29-32-22(34)23(2,25)26)12-33(13)21(36)14-6-5-7-15(10-14)24(27,28)19-16-8-3-4-9-17(16)20(35)31-30-19/h3-10,13H,11-12H2,1-2H3,(H,31,35)/t13-/m0/s1
InChIKey
NWGMIELHSCQGOG-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of AZ0108
CAS: 1825345-52-5
CID: 122423373
Formula: C24H20F4N6O2
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass500.15838655
Monoisotopic Mass500.15838655
Topological Polar Surface Area92.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812680AZ0108

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