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S107

CAT: 0931-T3438-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T3438-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
927871-76-9
Target
Calcium Channel, Others
Related Pathways
Membrane transporter/Ion channel, Others, Metabolism
Purity
0.999
Bioactivity
S107 is a RyR-selective 1, 4-benzothiazepine derivative that stabilizes RyR2 channels by enhancing the binding affinity of calstabin2 to mutant and/or PKA-phosphorylated channels.
Smiles
COc1ccc2SCCN(C)Cc2c1
Molecular Formula
C11H15NOS
Molecular Weight
209.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Methoxy-4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine

S107 is an organic molecular entity.

CAS Number927871-76-9
PubChem CID24763624
IUPAC Name7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine
Molecular FormulaC11H15NOS
Molecular Weight209.31
XLogP2
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
CN1CCSC2=C(C1)C=C(C=C2)OC
InChI
InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKey
BGVCEGVSQDOGSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methoxy-4-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
CAS: 927871-76-9
CID: 24763624
Formula: C11H15NOS
MW: 209.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.31
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass209.08743528
Monoisotopic Mass209.08743528
Topological Polar Surface Area37.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
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