S427-0717 Screening compound: (3-methoxyphenyl)(3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone
Chemical Structure Depiction of ChemDiv screening compound S427-0717
(3-methoxyphenyl)(3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone
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
S427-0717
Molecular Formula
C21H22N4O3 (C21 H22 N4 O3)
Compound Name
(3-methoxyphenyl)(3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}piperidino)methanone
IUPAC name
4-(3-{[1-(3-methoxybenzoyl)piperidin-3-yl]methyl}-124-oxadiazol-5-yl)pyridine
SMILES
COc1cccc(C(N2CC(Cc3noc(-c4ccncc4)n3)CCC2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
378.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.665
Distribution Coefficient, logD
2.664
Water Solubility, LogSw
-2.72
Polar Surface Area
66.188
Acid Dissociation Constant (pKa)
25.20
Base Dissociation Constant (pKb)
4.57
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.33
S427-0717 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Nervous system
- Eye
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Ion Channels
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S427-0717 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)