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Eggmanone

CAT: 0607-C4796-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C4796-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
selective inhibitor of PDE4
CAS Number
505068-32-6
Product Name Alternative
5,6,7,8-tetrahydro-3-(2-methyl-2-propen-1-yl)-2-[[2-oxo-2-(2-thienyl)ethyl]thio]-[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Field of Research
Metabolism PDE
Purity
≥ 95.00%
Form
A crystalline solid
Solubility
≤0.5mg/ml in ethanol;10mg/ml in DMSO;5mg/ml in dimethyl formamide
Smiles
O=C1N(CC(C)=C)C(SCC(C2=CC=CS2)=O)=NC3=C1C4=C(S3)CCCC4
Molecular Formula
C20H20N2O2S3
Molecular Weight
416.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Eggmanone
CAS Number505068-32-6
PubChem CID1158635
IUPAC Name3-(2-methylprop-2-enyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Molecular FormulaC20H20N2O2S3
Molecular Weight416.6
XLogP5.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity666
SMILES
CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CS3)SC4=C2CCCC4
InChI
InChI=1S/C20H20N2O2S3/c1-12(2)10-22-19(24)17-13-6-3-4-7-15(13)27-18(17)21-20(22)26-11-14(23)16-8-5-9-25-16/h5,8-9H,1,3-4,6-7,10-11H2,2H3
InChIKey
XAKJIQPEGSCYIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eggmanone
CAS: 505068-32-6
CID: 1158635
Formula: C20H20N2O2S3
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass416.06869141
Monoisotopic Mass416.06869141
Topological Polar Surface Area132 Ų
Heavy Atom Count27
Formal Charge0
Complexity666
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

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CatalogName
562343Eggmanone

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