J052-3285 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]azocane

J052-3285 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]azocane
J052-3285 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]azocane alternative view

Chemical Structure Depiction of ChemDiv screening compound J052-3285
1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]azocane

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

J052-3285

Molecular Formula

C20H21FN4O (C20 H21 FN4 O)

Compound Name

1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]azocane

IUPAC name

1-[3-(4-fluorophenyl)-[124]triazolo[43-a]pyridine-8-carbonyl]azocane

SMILES

O=C(c1cccn2c1nnc2-c(cc1)ccc1F)N1CCCCCCC1

InChI

InChI=1S/C20H21FN4O/c21-16-10-8-15(9-11-16)18-22-23-19-17(7-6-14-25(18)19)20(26)24-12-4-2-1-3-5-13-24/h6-11,14H,1-5,12-13H2

InChI Key

UTECGMXGFCYXKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.65

Polar Surface Area

39.103

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J052-3285 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J052-3285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J052-3285?
Check Price and Availability of J052-3285, 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 J052-3285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J052-3285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J052-3285
  • 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 J052-3285 available by request