F595-0159 Screening compound: 7-(4-ethoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole

F595-0159 Screening compound: 7-(4-ethoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole
F595-0159 Screening compound: 7-(4-ethoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0159
7-(4-ethoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

F595-0159

Molecular Formula

C20H19F3N4OS (C20 H19 F3 N4 OS)

Compound Name

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

IUPAC name

7-(4-ethoxyphenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H6H7H-imidazo[21-c][124]triazole

SMILES

CCOc(cc1)ccc1N(CCn12)c2nnc1SCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H19F3N4OS/c1-2-28-17-8-6-16(7-9-17)26-10-11-27-18(26)24-25-19(27)29-13-14-4-3-5-15(12-14)20(21,22)23/h3-9,12H,2,10-11,13H2,1H3

InChI Key

MFGMJSFXGUTYHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-4.74

Polar Surface Area

33.846

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F595-0159 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F595-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0159?
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What is the minimum amount of F595-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0159
  • 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 F595-0159 available by request