C599-0816 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
Chemical Structure Depiction of ChemDiv screening compound C599-0816
1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
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
C599-0816
Molecular Formula
C14H16ClN3O (C14 H16 ClN3 O)
Compound Name
1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
IUPAC name
1-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}piperidine
SMILES
Clc(cc1)ccc1-c1noc(CN2CCCCC2)n1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
277.75
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.709
Distribution Coefficient, logD
3.696
Water Solubility, LogSw
-4.30
Polar Surface Area
35.314
Acid Dissociation Constant (pKa)
27.74
Base Dissociation Constant (pKb)
5.87
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
C599-0816 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS BBB Library (22607 compounds)
CNS MPO Library (28609 compounds)
Fragments Library (11262 compounds)
Human Kinases Annotated Library (2415 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Immune system
- Nervous system
- Cardiovascular
- Fragments
- Kinases
- Ion Channels
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with C599-0816 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)