P616-0416 Screening compound: 4-(3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

P616-0416 Screening compound: 4-(3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
P616-0416 Screening compound: 4-(3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazol-5-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P616-0416
4-(3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

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

P616-0416

Molecular Formula

C17H12N6O (C17 H12 N6 O)

Compound Name

4-(3-{3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

IUPAC name

4-(3-{3-ethyl-[124]triazolo[43-a]pyridin-6-yl}-124-oxadiazol-5-yl)benzonitrile

SMILES

CCc1nnc(cc2)n1cc2-c1noc(-c(cc2)ccc2C#N)n1

InChI

InChI=1S/C17H12N6O/c1-2-14-20-21-15-8-7-13(10-23(14)15)16-19-17(24-22-16)12-5-3-11(9-18)4-6-12/h3-8,10H,2H2,1H3

InChI Key

RVTKJXHZSCFQSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

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

2.742

Distribution Coefficient, logD

2.742

Water Solubility, LogSw

-2.74

Polar Surface Area

71.180

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P616-0416 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P616-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0416?
Check Price and Availability of P616-0416, 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 P616-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0416
  • 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 P616-0416 available by request