F595-0079 Screening compound: 2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

F595-0079 Screening compound: 2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
F595-0079 Screening compound: 2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0079
2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

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

F595-0079

Molecular Formula

C19H17FN4O2S (C19 H17 FN4 O2 S)

Compound Name

2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

IUPAC name

2-{[7-(4-fluorophenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

SMILES

COc(cc1)ccc1C(CSc(n1CC2)nnc1N2c(cc1)ccc1F)=O

InChI

InChI=1S/C19H17FN4O2S/c1-26-16-8-2-13(3-9-16)17(25)12-27-19-22-21-18-23(10-11-24(18)19)15-6-4-14(20)5-7-15/h2-9H,10-12H2,1H3

InChI Key

AGBVCUZMXBQFFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.78

Polar Surface Area

47.513

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F595-0079 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F595-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0079?
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What is the minimum amount of F595-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0079
  • 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 F595-0079 available by request