P616-0477 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methyl]-3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

P616-0477 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methyl]-3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole
P616-0477 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methyl]-3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P616-0477
5-[(3-chloro-4-methoxyphenyl)methyl]-3-{3-ethyl-[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

P616-0477

Molecular Formula

C18H16ClN5O2 (C18 H16 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(cc2)n1cc2-c1noc(Cc(cc2)cc(Cl)c2OC)n1

InChI

InChI=1S/C18H16ClN5O2/c1-3-15-21-22-16-7-5-12(10-24(15)16)18-20-17(26-23-18)9-11-4-6-14(25-2)13(19)8-11/h4-8,10H,3,9H2,1-2H3

InChI Key

ADDQMDBIJLIHJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

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

3.497

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.83

Polar Surface Area

61.420

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P616-0477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P616-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0477?
Check Price and Availability of P616-0477, 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 P616-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0477
  • 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 P616-0477 available by request