J052-3397 Screening compound: 3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

J052-3397 Screening compound: 3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
J052-3397 Screening compound: 3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J052-3397
3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)-[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

J052-3397

Molecular Formula

C15H10F4N4O (C15 H10 F4 N4 O)

Compound Name

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

IUPAC name

3-(4-fluorophenyl)-N-(222-trifluoroethyl)-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

O=C(c1cccn2c1nnc2-c(cc1)ccc1F)NCC(F)(F)F

InChI

InChI=1S/C15H10F4N4O/c16-10-5-3-9(4-6-10)12-21-22-13-11(2-1-7-23(12)13)14(24)20-8-15(17,18)19/h1-7H,8H2,(H,20,24)

InChI Key

NOAPJPPRNYTAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-3.19

Polar Surface Area

46.808

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

J052-3397 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J052-3397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J052-3397?
Check Price and Availability of J052-3397, 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 J052-3397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J052-3397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J052-3397
  • 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 J052-3397 available by request