S397-0226 Screening compound: 1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S397-0226
1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
S397-0226
Molecular Formula
C23H32N4O2S (C23 H32 N4 O2 S)
Compound Name
1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxamide
IUPAC name
1-(cyclopropylmethyl)-N-(1-ethylpiperidin-4-yl)-N-[(thiophen-2-yl)methyl]-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide
SMILES
CCN(CC1)CCC1N(Cc1cccs1)C(c1nn(CC2CC2)c2c1COCC2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
428.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.830
Distribution Coefficient, logD
0.645
Water Solubility, LogSw
-2.94
Polar Surface Area
43.288
Acid Dissociation Constant (pKa)
21.75
Base Dissociation Constant (pKb)
9.58
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
65.22
S397-0226 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 compounds)
Included in 1.7M Stock Database
- Nervous system
- Eye
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with S397-0226 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)