P616-0492 Screening compound: 3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole

P616-0492 Screening compound: 3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
P616-0492 Screening compound: 3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P616-0492
3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-5-[(3-methylphenoxy)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

P616-0492

Molecular Formula

C18H17N5O2 (C18 H17 N5 O2)

Compound Name

3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole

IUPAC name

3-{3-ethyl-[124]triazolo[43-a]pyridin-6-yl}-5-[(3-methylphenoxy)methyl]-124-oxadiazole

SMILES

CCc1nnc(cc2)n1cc2-c1noc(COc2cc(C)ccc2)n1

InChI

InChI=1S/C18H17N5O2/c1-3-15-20-21-16-8-7-13(10-23(15)16)18-19-17(25-22-18)11-24-14-6-4-5-12(2)9-14/h4-10H,3,11H2,1-2H3

InChI Key

OFMKQSGKZWGZMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.31

Polar Surface Area

61.288

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P616-0492 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P616-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0492?
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What is the minimum amount of P616-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0492
  • 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 P616-0492 available by request