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E722-2648

CAT: 0931-T86330-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86330-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
931963-55-2
Target
Wnt/beta-catenin
Related Pathways
Stem Cells, Cytoskeletal Signaling
Bioactivity
E722-2648 is a potent inhibitor of the β-catenin/BCL9 complex, specifically preventing its formation and inhibiting Wnt activity. It disrupts cholesterol homeostasis through increased cholesterol esterification and accumulation of lipid droplets. Additionally, E722-2648 exhibits antitumor activity [1].
Smiles
C(NCCCN1CC(C)CCC1)(=O)C2=CC3=C(C4=C(S3)CCCC4)CS2
Molecular Formula
C21H30N2OS2
Molecular Weight
390.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-(3-Methyl-1-piperidinyl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-B][1]benzothiophene-3-carboxamide
CAS Number931963-55-2
PubChem CID20913345
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
Molecular FormulaC21H30N2OS2
Molecular Weight390.6
XLogP4.6
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
CC1CCCN(C1)CCCNC(=O)C2=CC3=C(CS2)C4=C(S3)CCCC4
InChI
InChI=1S/C21H30N2OS2/c1-15-6-4-10-23(13-15)11-5-9-22-21(24)20-12-19-17(14-25-20)16-7-2-3-8-18(16)26-19/h12,15H,2-11,13-14H2,1H3,(H,22,24)
InChIKey
KTLYLDMTGYBKTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(3-Methyl-1-piperidinyl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-B][1]benzothiophene-3-carboxamide
CAS: 931963-55-2
CID: 20913345
Formula: C21H30N2OS2
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass390.17995593
Monoisotopic Mass390.17995593
Topological Polar Surface Area85.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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