P166-1542 Screening compound: ethyl 4-({3-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate

P166-1542 Screening compound: ethyl 4-({3-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate
P166-1542 Screening compound: ethyl 4-({3-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1542
ethyl 4-({3-[6-(4-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

P166-1542

Molecular Formula

C21H30N6O3 (C21 H30 N6 O3)

Compound Name

ethyl 4-({3-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-({3-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]-124-oxadiazol-5-yl}methyl)piperazine-1-carboxylate

SMILES

CCOC(N1CCN(Cc2nc(-c(cc3)cnc3N3CCC(C)CC3)no2)CC1)=O

InChI

InChI=1S/C21H30N6O3/c1-3-29-21(28)27-12-10-25(11-13-27)15-19-23-20(24-30-19)17-4-5-18(22-14-17)26-8-6-16(2)7-9-26/h4-5,14,16H,3,6-13,15H2,1-2H3

InChI Key

QMFRQSVUPGQBTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567430

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

3.485

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-3.30

Polar Surface Area

70.148

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P166-1542 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P166-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1542?
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What is the minimum amount of P166-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1542
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P166-1542 available by request