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BPI-460372

CAT: 1568-C15139-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C15139-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2762619-63-4
SKU
C15139-5mg
Target
TEAD
Applications
Hippo
Molecular Formula
C18H13F4N5O2
Additionnal Information
BPI‐460372 is an orally available, covalent, irreversible inhibitor of TEAD 1/3/4 that binds to the cysteine residue in the TEAD palmitoylation pocket, preventing palmitoylation and inhibiting TEAD’s transcriptional activity.

Chemical Information

Tead1/3/4-IN-1
CAS Number2762619-63-4
PubChem CID168157187
IUPAC Name1-[1-(2-fluoroprop-2-enoyl)azetidin-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-2-one
Molecular FormulaC18H13F4N5O2
Molecular Weight407.3
XLogP2.1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity688
SMILES
C=C(C(=O)N1CC(C1)N2C3=NC=CN=C3N(C2=O)C4=CC=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C18H13F4N5O2/c1-10(19)16(28)25-8-13(9-25)27-15-14(23-6-7-24-15)26(17(27)29)12-4-2-11(3-5-12)18(20,21)22/h2-7,13H,1,8-9H2
InChIKey
SODJZYMRWMUOMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tead1/3/4-IN-1
CAS: 2762619-63-4
CID: 168157187
Formula: C18H13F4N5O2
MW: 407.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass407.10053732
Monoisotopic Mass407.10053732
Topological Polar Surface Area69.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity688
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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