J052-3942 Screening compound: N-(2-cyanophenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

J052-3942 Screening compound: N-(2-cyanophenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
J052-3942 Screening compound: N-(2-cyanophenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J052-3942
N-(2-cyanophenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

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

J052-3942

Molecular Formula

C20H12FN5O (C20 H12 FN5 O)

Compound Name

N-(2-cyanophenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

N-(2-cyanophenyl)-3-(2-fluorophenyl)-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

N#Cc(cccc1)c1NC(c1cccn2c(-c(cccc3)c3F)nnc12)=O

InChI

InChI=1S/C20H12FN5O/c21-16-9-3-2-7-14(16)18-24-25-19-15(8-5-11-26(18)19)20(27)23-17-10-4-1-6-13(17)12-22/h1-11H,(H,23,27)

InChI Key

GRULGYRHZGOVMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.44

Polar Surface Area

61.573

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

J052-3942 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J052-3942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J052-3942?
Check Price and Availability of J052-3942, 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 J052-3942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J052-3942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J052-3942
  • 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 J052-3942 available by request