S826-6556 Screening compound: {1-cyclopentyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol
Chemical Structure Depiction of ChemDiv screening compound S826-6556
{1-cyclopentyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol
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
S826-6556
Molecular Formula
C17H22N4O2 (C17 H22 N4 O2)
Compound Name
{1-cyclopentyl-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol
IUPAC name
[(3S4S)-1-cyclopentyl-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol
SMILES
OC[C@@H](CN(C1)C2CCCC2)[C@H]1c1nc(-c2cnccc2)no1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
314.39
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
1.921
Distribution Coefficient, logD
-1.521
Water Solubility, LogSw
-1.95
Polar Surface Area
62.162
Acid Dissociation Constant (pKa)
16.23
Base Dissociation Constant (pKb)
10.84
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
58.82
S826-6556 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with S826-6556 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)