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NCT-TFP

CAT: 0013-GTR19220495-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220495-02Size:100 mg
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Description
NCT-TFP is a PARP-targeted fluorescent probe used to identify and characterize Poly (ADP-ribose) polymerase inhibitors. It is a valuable tool for in vitro screening assays and mechanistic studies in oncology and DNA damage repair research.
CAS Number
2379390-73-3
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C ([O-]) (=O) C1=C (C=2C=3C (=C4C5=C (C3) CCCCN5CCC4) OC=6C2C=C7C=8C6CCC[N+]8CCCC7) C=C (C (OC9=C (F) C (F) =CC (F) =C9F) =O) C=C1
Molecular Formula
C41H34F4N2O5
Molecular Weight
710.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nct-tfp
CAS Number2379390-73-3
PubChem CID163322599
IUPAC Name2-(3-oxa-25-aza-9-azoniaheptacyclo[18.8.1.15,9.02,18.04,16.025,29.014,30]triaconta-1(29),2(18),4,9(30),14,16,19-heptaen-17-yl)-4-(2,3,5,6-tetrafluorophenoxy)carbonylbenzoate
Molecular FormulaC41H34F4N2O5
Molecular Weight710.7
XLogP7.4
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1520
SMILES
C1CCN2CCCC3=C2C(=CC4=C3OC5=C6CCC[N+]7=C6C(=CC5=C4C8=C(C=CC(=C8)C(=O)OC9=C(C(=CC(=C9F)F)F)F)C(=O)[O-])CCCC7)C1
InChI
InChI=1S/C41H34F4N2O5/c42-30-20-31(43)34(45)39(33(30)44)52-41(50)23-11-12-24(40(48)49)27(19-23)32-28-17-21-7-1-3-13-46-15-5-9-25(35(21)46)37(28)51-38-26-10-6-16-47-14-4-2-8-22(36(26)47)18-29(32)38/h11-12,17-20H,1-10,13-16H2
InChIKey
HIQOSFLVLGJWID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nct-tfp
CAS: 2379390-73-3
CID: 163322599
Formula: C41H34F4N2O5
MW: 710.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight710.7
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass710.24038484
Monoisotopic Mass710.24038484
Topological Polar Surface Area81.9 Ų
Heavy Atom Count52
Formal Charge0
Complexity1520
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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