F595-0081 Screening compound: 3-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0081 Screening compound: 3-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0081 Screening compound: 3-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0081
3-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-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

F595-0081

Molecular Formula

C19H19FN4O2S (C19 H19 FN4 O2 S)

Compound Name

3-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

IUPAC name

3-{[(35-dimethoxyphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5H6H7H-imidazo[21-c][124]triazole

SMILES

COc1cc(CSc(n2CC3)nnc2N3c(cc2)ccc2F)cc(OC)c1

InChI

InChI=1S/C19H19FN4O2S/c1-25-16-9-13(10-17(11-16)26-2)12-27-19-22-21-18-23(7-8-24(18)19)15-5-3-14(20)4-6-15/h3-6,9-11H,7-8,12H2,1-2H3

InChI Key

GKDCJRAXWVOZGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.23

Polar Surface Area

41.810

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F595-0081 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F595-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0081?
Check Price and Availability of F595-0081, 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 F595-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0081
  • 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 F595-0081 available by request