P166-1464 Screening compound: ethyl 4-({3-[6-(3-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound P166-1464
ethyl 4-({3-[6-(3-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate
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
P166-1464
Molecular Formula
C21H30N6O3 (C21 H30 N6 O3)
Compound Name
ethyl 4-({3-[6-(3-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate
IUPAC name
ethyl 4-({3-[6-(3-methylpiperidin-1-yl)pyridin-3-yl]-124-oxadiazol-5-yl}methyl)piperazine-1-carboxylate
SMILES
CCOC(N1CCN(Cc2nc(-c(cc3)cnc3N3CC(C)CCC3)no2)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
414.51
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.278
Distribution Coefficient, logD
2.598
Water Solubility, LogSw
-3.22
Polar Surface Area
70.081
Acid Dissociation Constant (pKa)
24.45
Base Dissociation Constant (pKb)
7.98
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
61.90
P166-1464 in Drug Discovery
Included in Screening Libraries
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with P166-1464 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)