J108-0325 Screening compound: 2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

J108-0325 Screening compound: 2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
J108-0325 Screening compound: 2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J108-0325
2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

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

J108-0325

Molecular Formula

C16H11FN4S (C16 H11 FN4 S)

Compound Name

2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

2-[(4-fluorophenyl)methyl]-7-(thiophen-3-yl)-[124]triazolo[15-a]pyrimidine

SMILES

Fc1ccc(Cc2nn3c(-c4cscc4)ccnc3n2)cc1

InChI

InChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)9-15-19-16-18-7-5-14(21(16)20-15)12-6-8-22-10-12/h1-8,10H,9H2

InChI Key

ITLPOGBTGBVYLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.10

Polar Surface Area

31.950

Acid Dissociation Constant (pKa)

29.77

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

J108-0325 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with J108-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J108-0325?
Check Price and Availability of J108-0325, 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 J108-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J108-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J108-0325
  • 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 J108-0325 available by request