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TED-347

CAT: 0957-S8951-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S8951-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TED-347 is a potent, irreversible, covalent and allosteric inhibitor of the TEAD⋅Yap protein-protein interaction. TED-347 inhibits TEAD4⋅Yap1 protein-protein interaction with an apparent EC50 of 5.9 μM.
CAS Number
2378626-29-8
Target
YAP
Activity
Hippo
Molecular Formula
C15H11ClF3NO
Storage Conditions
3 years -20°C powder

Chemical Information

2-Chloro-1-(2-((3-(trifluoromethyl)phenyl)amino)phenyl)ethanone
CAS Number2378626-29-8
PubChem CID137796964
IUPAC Name2-chloro-1-[2-[3-(trifluoromethyl)anilino]phenyl]ethanone
Molecular FormulaC15H11ClF3NO
Molecular Weight313.70
XLogP5.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
C1=CC=C(C(=C1)C(=O)CCl)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H11ClF3NO/c16-9-14(21)12-6-1-2-7-13(12)20-11-5-3-4-10(8-11)15(17,18)19/h1-8,20H,9H2
InChIKey
JPVDFGYNLUBCSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1-(2-((3-(trifluoromethyl)phenyl)amino)phenyl)ethanone
CAS: 2378626-29-8
CID: 137796964
Formula: C15H11ClF3NO
MW: 313.70
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight313.70
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass313.0481262
Monoisotopic Mass313.0481262
Topological Polar Surface Area29.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
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