T955-0064 Screening compound: 1-(3-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)-3-cyclopentylpropan-1-one
Chemical Structure Depiction of ChemDiv screening compound T955-0064
1-(3-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)-3-cyclopentylpropan-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
T955-0064
Molecular Formula
C24H33N3O3 (C24 H33 N3 O3)
Compound Name
1-(3-{3-[2-(benzyloxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)-3-cyclopentylpropan-1-one
IUPAC name
1-(3-{3-[2-(benzyloxy)ethyl]-124-oxadiazol-5-yl}piperidin-1-yl)-3-cyclopentylpropan-1-one
SMILES
O=C(CCC1CCCC1)N(CCC1)CC1c1nc(CCOCc2ccccc2)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.139
Distribution Coefficient, logD
4.139
Water Solubility, LogSw
-4.33
Polar Surface Area
57.600
Acid Dissociation Constant (pKa)
24.22
Base Dissociation Constant (pKb)
4.80
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
62.50
T955-0064 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with T955-0064 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)