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OPN-9643

CAT: 0013-GTR19274968-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274968-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OPN-9643 is a covalent inhibitor that targets the central palmitoyl-binding pocket of TEADs, with an IC50 of 15 nM. It prevents auto-palmitoylation and reduces TEAD-driven luciferase activity, as well as classic TEAD target genes such as CTGF and CYR61. OPN-9643 is applicable in cancer research, including studies on melanoma.
CAS Number
2866423-06-3
Smiles
O=C (C=C) N1CC2=CC (OC3=CC=C (C=C3) C (F) (F) F) =CC=C2CC1
Molecular Formula
C19H16F3NO2
Molecular Weight
347.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CAS Number2866423-06-3
PubChem CID166130064
IUPAC Name1-[7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
Molecular FormulaC19H16F3NO2
Molecular Weight347.3
XLogP4.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity486
SMILES
C=CC(=O)N1CCC2=C(C1)C=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H16F3NO2/c1-2-18(24)23-10-9-13-3-6-17(11-14(13)12-23)25-16-7-4-15(5-8-16)19(20,21)22/h2-8,11H,1,9-10,12H2
InChIKey
XREZTVRYRHMEPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[7-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CAS: 2866423-06-3
CID: 166130064
Formula: C19H16F3NO2
MW: 347.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.3
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass347.11331324
Monoisotopic Mass347.11331324
Topological Polar Surface Area29.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity486
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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