P616-0399 Screening compound: 5-[(4-chlorophenyl)methyl]-3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

P616-0399 Screening compound: 5-[(4-chlorophenyl)methyl]-3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole
P616-0399 Screening compound: 5-[(4-chlorophenyl)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 P616-0399
5-[(4-chlorophenyl)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

P616-0399

Molecular Formula

C17H14ClN5O (C17 H14 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(cc2)n1cc2-c1noc(Cc(cc2)ccc2Cl)n1

InChI

InChI=1S/C17H14ClN5O/c1-2-14-20-21-15-8-5-12(10-23(14)15)17-19-16(24-22-17)9-11-3-6-13(18)7-4-11/h3-8,10H,2,9H2,1H3

InChI Key

IINTXGCVAKQGIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.78

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

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-4.19

Polar Surface Area

53.789

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P616-0399 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

SmartTM Library (51161 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 P616-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0399?
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What is the minimum amount of P616-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0399
  • 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 P616-0399 available by request