S339-0311 Screening compound: 2-methoxy-5-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)pyridine
Chemical Structure Depiction of ChemDiv screening compound S339-0311
2-methoxy-5-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)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
S339-0311
Molecular Formula
C22H24N4O4 (C22 H24 N4 O4)
Compound Name
2-methoxy-5-(4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)pyridine
IUPAC name
2-methoxy-5-(4-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)pyridine
SMILES
COc(cc1)ccc1-c1noc(CC(CC2)CCN2C(c(cc2)cnc2OC)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.46
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.865
Distribution Coefficient, logD
3.865
Water Solubility, LogSw
-3.96
Polar Surface Area
72.084
Acid Dissociation Constant (pKa)
26.00
Base Dissociation Constant (pKb)
0.49
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.40
S339-0311 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
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)
Akt-Targeted Library (14764 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
- Kinases
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S339-0311 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)