P166-1586 Screening compound: ethyl 1-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate

P166-1586 Screening compound: ethyl 1-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate
P166-1586 Screening compound: ethyl 1-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1586
ethyl 1-({3-[6-(azepan-1-yl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}methyl)piperidine-3-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

P166-1586

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

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

IUPAC name

ethyl 1-({3-[6-(azepan-1-yl)pyridin-3-yl]-124-oxadiazol-5-yl}methyl)piperidine-3-carboxylate

SMILES

CCOC(C1CN(Cc2nc(-c(cc3)cnc3N3CCCCCC3)no2)CCC1)=O

InChI

InChI=1S/C22H31N5O3/c1-2-29-22(28)18-8-7-11-26(15-18)16-20-24-21(25-30-20)17-9-10-19(23-14-17)27-12-5-3-4-6-13-27/h9-10,14,18H,2-8,11-13,15-16H2,1H3/t18-/m0/s1

InChI Key

DCJDECYMIUATSS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD22596058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.76

Polar Surface Area

68.386

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with P166-1586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1586?
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What is the minimum amount of P166-1586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1586
  • 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 P166-1586 available by request