P166-1581 Screening compound: 3-[6-(1-azepanyl)-3-pyridyl]-5-[(4-methylpiperidino)methyl]-1,2,4-oxadiazole

P166-1581 Screening compound: 3-[6-(1-azepanyl)-3-pyridyl]-5-[(4-methylpiperidino)methyl]-1,2,4-oxadiazole
P166-1581 Screening compound: 3-[6-(1-azepanyl)-3-pyridyl]-5-[(4-methylpiperidino)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1581
3-[6-(1-azepanyl)-3-pyridyl]-5-[(4-methylpiperidino)methyl]-1,2,4-oxadiazole

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

P166-1581

Molecular Formula

C20H29N5O (C20 H29 N5 O)

Compound Name

3-[6-(1-azepanyl)-3-pyridyl]-5-[(4-methylpiperidino)methyl]-1,2,4-oxadiazole

IUPAC name

1-(5-{5-[(4-methylpiperidin-1-yl)methyl]-124-oxadiazol-3-yl}pyridin-2-yl)azepane

SMILES

CC1CCN(Cc2nc(-c(cc3)cnc3N3CCCCCC3)no2)CC1

InChI

InChI=1S/C20H29N5O/c1-16-8-12-24(13-9-16)15-19-22-20(23-26-19)17-6-7-18(21-14-17)25-10-4-2-3-5-11-25/h6-7,14,16H,2-5,8-13,15H2,1H3

InChI Key

GLPAQUHHEUMYEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.05

Polar Surface Area

47.698

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with P166-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1581?
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What is the minimum amount of P166-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1581
  • 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 P166-1581 available by request