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SquarunkinA

CAT: 1410-M23953-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M23953-06Size:100 mg
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Description
SquarunkinA is a novel modulator of the UNC119-Cargo Interaction, potently and selectively inhibiting the binding of a myristoylated peptide representing the N-terminus of Src kinase to UNC119A
CAS Number
2101958-02-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
523.55
Molecular Formula
C25H32F3N5O4
Notes
Research use only, not for human use.
Receptor
SRC|UNC119-cargo interaction

Chemical Information

squarunkin A
CAS Number2101958-02-3
PubChem CID134611887
IUPAC Nameethyl 4-[[3,4-dioxo-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate
Molecular FormulaC25H32F3N5O4
Molecular Weight523.5
XLogP3.3
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity880
SMILES
CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3
InChIKey
ZKITWOVRRSBKFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of squarunkin A
CAS: 2101958-02-3
CID: 134611887
Formula: C25H32F3N5O4
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass523.24063901
Monoisotopic Mass523.24063901
Topological Polar Surface Area94.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity880
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

Alternative Products

CatalogName
MBS5765129squarunkinA

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