S592-1003 Screening compound: 2-cyclopentyl-1-{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound S592-1003
2-cyclopentyl-1-{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one
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
S592-1003
Molecular Formula
C14H21N3O3 (C14 H21 N3 O3)
Compound Name
2-cyclopentyl-1-{3-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one
IUPAC name
2-cyclopentyl-1-{3-[5-(hydroxymethyl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one
SMILES
OCc1nc(C(CC2)CN2C(CC2CCCC2)=O)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
279.34
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.443
Distribution Coefficient, logD
1.443
Water Solubility, LogSw
-1.41
Polar Surface Area
65.675
Acid Dissociation Constant (pKa)
15.31
Base Dissociation Constant (pKb)
-1.82
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
78.57
S592-1003 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- Antiviral
- Infections
- Immune system
- Agro
References: we are preparing a list of scientific research reports with S592-1003 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)