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VT-105

CAT: 0931-T69638-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T69638-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2417718-38-6
Target
Others, YAP
Related Pathways
Stem Cells, Others
Purity
>99.99%
Bioactivity
VT-105 is a potent and selective TEAD autopalmitoylation inhibitor that hinders proliferation and tumor growth in NF2-deficient mesotheliomas.
Smiles
C(N[C@@H](C)C1=CC=CC=N1)(=O)C2=CC3=C(C(=CC=C3)C4=CC=C(C(F)(F)F)C=C4)N=C2
Molecular Formula
C24H18F3N3O
Molecular Weight
421.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CAS Number2417718-38-6
PubChem CID153583357
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Molecular FormulaC24H18F3N3O
Molecular Weight421.4
XLogP4.8
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity605
SMILES
C[C@@H](C1=CC=CC=N1)NC(=O)C2=CN=C3C(=C2)C=CC=C3C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1
InChIKey
FUKXXBXVSANFJK-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CAS: 2417718-38-6
CID: 153583357
Formula: C24H18F3N3O
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass421.14019669
Monoisotopic Mass421.14019669
Topological Polar Surface Area54.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity605
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

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