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Org 9935

CAT: 0013-GTR19208345-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208345-01Size:25 mg
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Description
Org 9935 is a highly selective and potent phosphodiesterase 3 (PDE3) inhibitor, exhibiting an IC50 value of 50 nM. This small molecule is a valuable research tool for investigating cardiac function, vascular tone, and platelet aggregation in both in vitro biochemical assays and in vivo physiological studies.
CAS Number
129425-83-8
Smiles
CC1C (C2=CC=3C (S2) =CC (OC) =C (OC) C3) =NNC (=O) C1
Molecular Formula
C15H16N2O3S
Molecular Weight
304.36
Storage Conditions
-20°C
Notes
For research use only.

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
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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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