P616-0228 Screening compound: 5-[(4-chlorophenoxy)methyl]-3-{3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

P616-0228 Screening compound: 5-[(4-chlorophenoxy)methyl]-3-{3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole
P616-0228 Screening compound: 5-[(4-chlorophenoxy)methyl]-3-{3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P616-0228
5-[(4-chlorophenoxy)methyl]-3-{3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-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

P616-0228

Molecular Formula

C16H12ClN5O2 (C16 H12 ClN5 O2)

Compound Name

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

IUPAC name

5-[(4-chlorophenoxy)methyl]-3-{3-methyl-[124]triazolo[43-a]pyridin-6-yl}-124-oxadiazole

SMILES

Cc1nnc(cc2)n1cc2-c1noc(COc(cc2)ccc2Cl)n1

InChI

InChI=1S/C16H12ClN5O2/c1-10-19-20-14-7-2-11(8-22(10)14)16-18-15(24-21-16)9-23-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3

InChI Key

AVLDXAIXAJQBRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.49

Polar Surface Area

61.089

Acid Dissociation Constant (pKa)

29.14

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P616-0228 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P616-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0228?
Check Price and Availability of P616-0228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P616-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0228
  • 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 P616-0228 available by request