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ST7710AA1

CAT: 0013-GTR19199046-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199046-02Size:50 mg
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Description
ST7710AA1 is a potent and selective PARP-1 inhibitor effective in vitro. It demonstrates an ability to circumvent P-glycoprotein (Pgp) -mediated multidrug resistance, making it a valuable chemical probe for researching DNA damage response and oncology, including in vivo models.
CAS Number
1542067-20-8
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (N) (=O) N1C=2C (=CC=C (N2) C3=CC=C (CN4CCCCC4) C=C3) C=C1
Molecular Formula
C20H22N4O
Molecular Weight
334.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CAS Number1542067-20-8
PubChem CID73669300
IUPAC Name6-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
Molecular FormulaC20H22N4O
Molecular Weight334.4
XLogP2.9
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity457
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)C3=NC4=C(C=C3)C=CN4C(=O)N
InChI
InChI=1S/C20H22N4O/c21-20(25)24-13-10-17-8-9-18(22-19(17)24)16-6-4-15(5-7-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,25)
InChIKey
HIBOPBGHLVWFCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CAS: 1542067-20-8
CID: 73669300
Formula: C20H22N4O
MW: 334.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass334.17936134
Monoisotopic Mass334.17936134
Topological Polar Surface Area64.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity457
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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