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SCH00013

CAT: 0931-T13882-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13882-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217963-18-3
Target
Calcium Channel, Others
Related Pathways
Membrane transporter/Ion channel, Others, Metabolism
Bioactivity
SCH00013 is an agent of cardiotonic that primarily acts via an increase in myofibrillar Ca++ sensitivity. SCH00013 have a significant Ca (2+) sensitizing effect at pH 7.2 to 7.4.
Smiles
OC(CN1CCC(=CC1)C1=NNC(=O)CC1)c1ccc(cc1)C#N
Molecular Formula
C18H20N4O2
Molecular Weight
324.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[1-hydroxy-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzonitrile
CAS Number217963-18-3
PubChem CID9818684
IUPAC Name4-[1-hydroxy-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzonitrile
Molecular FormulaC18H20N4O2
Molecular Weight324.4
XLogP0.2
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity581
SMILES
C1CC(=O)NN=C1C2=CCN(CC2)CC(C3=CC=C(C=C3)C#N)O
InChI
InChI=1S/C18H20N4O2/c19-11-13-1-3-15(4-2-13)17(23)12-22-9-7-14(8-10-22)16-5-6-18(24)21-20-16/h1-4,7,17,23H,5-6,8-10,12H2,(H,21,24)
InChIKey
BPEKLIDKLJZYOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[1-hydroxy-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzonitrile
CAS: 217963-18-3
CID: 9818684
Formula: C18H20N4O2
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.15862589
Monoisotopic Mass324.15862589
Topological Polar Surface Area88.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5754390SCH00013
A16204-100SCH00013 100mg
A16204-50SCH00013 50mg
A16204-10SCH00013 10mg
A16204-1SCH00013 1mg
A16204-25SCH00013 25mg
A16204-5SCH00013 5mg

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