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FAK ligand-2

CAT: 0013-GTR19275638-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275638-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FAKligand-2 is a FAK inhibitor and also serves as a ligand for the target protein of PROTAC (FAK) . It is utilized in the synthesis of BSJ-04-146.
CAS Number
2414478-49-0
Smiles
O=C (NC) C=1C=CC=CC1NC2=CC (=NC=C2C (F) (F) F) NC=3C=C (C (=CC3OC (C) C) C4CCNCC4) C
Molecular Formula
C29H34F3N5O2
Molecular Weight
541.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-methyl-2-[[2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
CAS Number2414478-49-0
PubChem CID153555645
IUPAC NameN-methyl-2-[[2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
Molecular FormulaC29H34F3N5O2
Molecular Weight541.6
XLogP6.2
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity779
SMILES
CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F
InChI
InChI=1S/C29H34F3N5O2/c1-17(2)39-26-14-21(19-9-11-34-12-10-19)18(3)13-25(26)37-27-15-24(22(16-35-27)29(30,31)32)36-23-8-6-5-7-20(23)28(38)33-4/h5-8,13-17,19,34H,9-12H2,1-4H3,(H,33,38)(H2,35,36,37)
InChIKey
DRSVKEXHFXXQEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-[[2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
CAS: 2414478-49-0
CID: 153555645
Formula: C29H34F3N5O2
MW: 541.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.6
XLogP36.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass541.26645983
Monoisotopic Mass541.26645983
Topological Polar Surface Area87.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity779
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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