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SCH 57790

CAT: 0931-T28722-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T28722-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221660-80-6
Target
AChR
Related Pathways
Neuroscience
Purity
0.9975
Bioactivity
SCH 57790 is a novel and selective muscarinic M (2) receptor antagonist that releases acetylcholine and enhances cognition in experimental animals for the treatment of Alzheimer's disease.
Smiles
C(C#N)(N1CCN(CC1)C2CCCCC2)C3=CC=C(S(=O)C4=CC=C(OC)C=C4)C=C3
Molecular Formula
C25H31N3O2S
Molecular Weight
437.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sch 57790
CAS Number221660-80-6
PubChem CID9867750
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile
Molecular FormulaC25H31N3O2S
Molecular Weight437.6
XLogP4.1
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity620
SMILES
COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4
InChI
InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3
InChIKey
BFELQLHLUNQIHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sch 57790
CAS: 221660-80-6
CID: 9867750
Formula: C25H31N3O2S
MW: 437.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.6
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass437.21369841
Monoisotopic Mass437.21369841
Topological Polar Surface Area75.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
M34416-01SCH 57790

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