J052-4102 Screening compound: N-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

J052-4102 Screening compound: N-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
J052-4102 Screening compound: N-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J052-4102
N-(2,3-dimethylphenyl)-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

J052-4102

Molecular Formula

C21H17FN4O (C21 H17 FN4 O)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-3-(2-fluorophenyl)-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

Cc1cccc(NC(c2cccn3c(-c(cccc4)c4F)nnc23)=O)c1C

InChI

InChI=1S/C21H17FN4O/c1-13-7-5-11-18(14(13)2)23-21(27)16-9-6-12-26-19(24-25-20(16)26)15-8-3-4-10-17(15)22/h3-12H,1-2H3,(H,23,27)

InChI Key

BDXNBHOUUGQXIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-3.95

Polar Surface Area

44.517

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

J052-4102 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J052-4102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J052-4102?
Check Price and Availability of J052-4102, 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 J052-4102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J052-4102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J052-4102
  • 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 J052-4102 available by request