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SANT 2

CAT: 0931-T23307-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T23307-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329196-48-7
Target
Hedgehog/Smoothened
Related Pathways
GPCR/G Protein, Stem Cells
Purity
0.9923
Bioactivity
SANT 2 is a Hedgehog (Hh) signaling pathway antagonist with potential anti-inflammatory and anticancer activity for the study of prostate, pancreatic and breast cancer.
Smiles
O=C(NC=1C=CC(Cl)=C(C1)C2=NC=3C=CC=CC3N2)C4=CC(OCC)=C(OCC)C(OCC)=C4
Molecular Formula
C26H26ClN3O4
Molecular Weight
479.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sant-2
CAS Number329196-48-7
PubChem CID1367095
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamide
Molecular FormulaC26H26ClN3O4
Molecular Weight480.0
XLogP5.6
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity640
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)
InChIKey
VQOJFGFKIVFMDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sant-2
CAS: 329196-48-7
CID: 1367095
Formula: C26H26ClN3O4
MW: 480.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.0
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass479.1611840
Monoisotopic Mass479.1611840
Topological Polar Surface Area85.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity640
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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CatalogName
A8653-50SANT-2
FS27792SANT-1

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