S592-0952 Screening compound: [3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]methanol
Chemical Structure Depiction of ChemDiv screening compound S592-0952
[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-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
S592-0952
Molecular Formula
C12H17N3O3 (C12 H17 N3 O3)
Compound Name
[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]methanol
IUPAC name
[3-(1-cyclobutanecarbonylpyrrolidin-3-yl)-124-oxadiazol-5-yl]methanol
SMILES
OCc1nc(C(CC2)CN2C(C2CCC2)=O)no1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
251.29
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
0.360
Distribution Coefficient, logD
0.360
Water Solubility, LogSw
-0.30
Polar Surface Area
66.167
Acid Dissociation Constant (pKa)
15.31
Base Dissociation Constant (pKb)
-1.58
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
75.00
S592-0952 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Fragment Library (4274 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- 3D
- 3D
- Fragments
- Mimetics
- Cyclic compounds
- PPI modulators
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with S592-0952 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)