F595-0050 Screening compound: 3-(butylsulfanyl)-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0050 Screening compound: 3-(butylsulfanyl)-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0050 Screening compound: 3-(butylsulfanyl)-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0050
3-(butylsulfanyl)-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

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

F595-0050

Molecular Formula

C14H17FN4S (C14 H17 FN4 S)

Compound Name

3-(butylsulfanyl)-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

IUPAC name

3-(butylsulfanyl)-7-(4-fluorophenyl)-5H6H7H-imidazo[21-c][124]triazole

SMILES

CCCCSc(n1CC2)nnc1N2c(cc1)ccc1F

InChI

InChI=1S/C14H17FN4S/c1-2-3-10-20-14-17-16-13-18(8-9-19(13)14)12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3

InChI Key

NJQHTNHFYUSZOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.83

Polar Surface Area

26.994

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F595-0050 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with F595-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0050?
Check Price and Availability of F595-0050, 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 F595-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0050
  • 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 F595-0050 available by request