S428-0781 Screening compound: 3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone
Chemical Structure Depiction of ChemDiv screening compound S428-0781
3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone
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
S428-0781
Molecular Formula
C21H33N3O3 (C21 H33 N3 O3)
Compound Name
3-cyclopentyl-1-{4-[(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidino}-1-propanone
IUPAC name
n/a
SMILES
O=C(CCC1CCCC1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
375.51
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.765
Distribution Coefficient, logD
3.765
Water Solubility, LogSw
-3.89
Polar Surface Area
56.090
Acid Dissociation Constant (pKa)
24.49
Base Dissociation Constant (pKb)
4.75
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.00
S428-0781 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- Epigenetic
- GPCR
- Cyclic compounds
References: we are preparing a list of scientific research reports with S428-0781 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)