1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine

CAS:
Other names: sildenafil
SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
474.58 8 1 2.57 121.79999999999998 7 203 0.50 C22H30N6O4S

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C591 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.18 0.70 8.7 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.23 1.48 7.0 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.23 0.60 3.6 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.93 1.00 6.7 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.15 0.60 8.2 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.62 0.90 12.1 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.30 1.36 8.7 21.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.26 0.95 8.7 25.5 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.18 0.70 8.7 31.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.16 0.85 8.7 37.5 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 2.05 1.04 8.7 45.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.83 0.60 8.7 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[g-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.66 1.28 8.7 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
[a-Cyclodextrin](1).[1-{[3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d] pyrimidin-5-yl)-4-ethoxyphenyl] sulfonyl}-4-methylpiperazine] 1.63 1.30 8.7 30.0 UV-vis spectroscopy Mahmoud M. Al Omari 2006
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