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JW 67

CAT: 0607-B5671-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5671-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
inhibitor of canonical Wnt pathway signaling
CAS Number
442644-28-2
Field of Research
Stem Cell Wnt β-catenin
Form
Beige solid
Solubility
<39.44mg/ml in DMSO
Smiles
OC1=NC2=CC=CC=C2C13OCC(COC45C6=CC=CC=C6N=C4O)(CO5)CO3
Molecular Formula
C21H18N2O6
Molecular Weight
394.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CAS Number442644-28-2
PubChem CID644733
Molecular FormulaC21H18N2O6
Molecular Weight394.4
XLogP0.5
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity646
SMILES
C1C2(COC3(O1)C4=CC=CC=C4NC3=O)COC5(C6=CC=CC=C6NC5=O)OC2
InChI
InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKey
BTXRSHKJNDFHGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CAS: 442644-28-2
CID: 644733
Formula: C21H18N2O6
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass394.11648630
Monoisotopic Mass394.11648630
Topological Polar Surface Area95.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity646
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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