S926-2798 Screening compound: 4-{3-[(piperidin-3-yloxy)methyl]-1,2,4-oxadiazol-5-yl}pyridine
Chemical Structure Depiction of ChemDiv screening compound S926-2798
4-{3-[(piperidin-3-yloxy)methyl]-1,2,4-oxadiazol-5-yl}pyridine
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
S926-2798
Molecular Formula
C13H16N4O2 (C13 H16 N4 O2)
Compound Name
4-{3-[(piperidin-3-yloxy)methyl]-1,2,4-oxadiazol-5-yl}pyridine
IUPAC name
4-{3-[(piperidin-3-yloxy)methyl]-124-oxadiazol-5-yl}pyridine
SMILES
C(c1noc(-c2ccncc2)n1)OC1CNCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
260.3
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.125
Distribution Coefficient, logD
-2.223
Water Solubility, LogSw
-0.79
Polar Surface Area
61.160
Acid Dissociation Constant (pKa)
26.30
Base Dissociation Constant (pKb)
9.75
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.15
S926-2798 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Nervous system
- Nervous system
- Nervous system
- Cardiovascular
- PPI modulators
- Ion Channels
References: we are preparing a list of scientific research reports with S926-2798 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)