S428-0609 Screening compound: 5-(1-cyclopropanecarbonylpyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of ChemDiv screening compound S428-0609
5-(1-cyclopropanecarbonylpyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
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
S428-0609
Molecular Formula
C15H21N3O3 (C15 H21 N3 O3)
Compound Name
5-(1-cyclopropanecarbonylpyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
IUPAC name
5-(1-cyclopropanecarbonylpyrrolidin-2-yl)-3-(oxan-4-yl)-124-oxadiazole
SMILES
O=C(C1CC1)N(CCC1)C1c1nc(C2CCOCC2)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
291.35
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.921
Distribution Coefficient, logD
1.921
Water Solubility, LogSw
-1.92
Polar Surface Area
56.976
Acid Dissociation Constant (pKa)
22.91
Base Dissociation Constant (pKb)
-2.73
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
80.00
S428-0609 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
CNS MPO Library (28609 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- Nervous system
- Nervous system
- Eye
- 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 S428-0609 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)