Products for Research Use Only

SANT-2

CAT: 0013-GTR19210732-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210732-02Size:50 mg
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Description
SANT-2 is a small molecule that potently inhibits the Sonic Hedgehog (Shh) signaling pathway. It is a valuable research tool for studying Shh-mediated processes in cancer and development, with demonstrated utility in both in vitro cellular assays and in vivo model systems.
CAS Number
496793-78-3
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
ClC=1C (C=2NC=3C (N2) =CC=CC3) =CC (NC (=O) C4=CC (OC) =C (OC) C (OC) =C4) =CC1
Molecular Formula
C23H20ClN3O4
Molecular Weight
437.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CAS Number496793-78-3
PubChem CID2032313
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
Molecular FormulaC23H20ClN3O4
Molecular Weight437.9
XLogP4.5
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity597
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C23H20ClN3O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)23(28)25-14-8-9-16(24)15(12-14)22-26-17-6-4-5-7-18(17)27-22/h4-12H,1-3H3,(H,25,28)(H,26,27)
InChIKey
WPVPAGJUOPBMCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CAS: 496793-78-3
CID: 2032313
Formula: C23H20ClN3O4
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass437.1142338
Monoisotopic Mass437.1142338
Topological Polar Surface Area85.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity597
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