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Org 9935

CAT: 0931-T71041-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71041-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129425-83-8
Target
Others
Related Pathways
Others
Bioactivity
Org 9935 is a potent, selective PDE3 inhibitor with IC50 of 50 nM.
Smiles
CC1C(C2=CC=3C(S2)=CC(OC)=C(OC)C3)=NNC(=O)C1
Molecular Formula
C15H16N2O3S
Molecular Weight
304.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
CAS Number129425-83-8
PubChem CID131100
IUPAC Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC15H16N2O3S
Molecular Weight304.4
XLogP2.8
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity443
SMILES
CC1CC(=O)NN=C1C2=CC3=CC(=C(C=C3S2)OC)OC
InChI
InChI=1S/C15H16N2O3S/c1-8-4-14(18)16-17-15(8)13-6-9-5-10(19-2)11(20-3)7-12(9)21-13/h5-8H,4H2,1-3H3,(H,16,18)
InChIKey
KIYDKXDCNSPKQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
CAS: 129425-83-8
CID: 131100
Formula: C15H16N2O3S
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass304.08816355
Monoisotopic Mass304.08816355
Topological Polar Surface Area88.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity443
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

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