S428-0045 Screening compound: N-(3-fluorophenyl)-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S428-0045
N-(3-fluorophenyl)-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-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
S428-0045
Molecular Formula
C19H23FN4O3 (C19 H23 FN4 O3)
Compound Name
N-(3-fluorophenyl)-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
IUPAC name
N-(3-fluorophenyl)-4-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carboxamide
SMILES
O=C(Nc1cccc(F)c1)N(CC1)CCC1c1nc(C2CCOCC2)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
374.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.329
Distribution Coefficient, logD
3.329
Water Solubility, LogSw
-3.34
Polar Surface Area
65.214
Acid Dissociation Constant (pKa)
12.15
Base Dissociation Constant (pKb)
1.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.60
S428-0045 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
Lipid Metabolism Library (9174 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
- 3D
- Cyclic compounds
- Infections
- Immune system
- animal
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Cardiovascular
- Metabolic
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
References: we are preparing a list of scientific research reports with S428-0045 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)