F595-0046 Screening compound: 1-(4-chlorophenyl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one

F595-0046 Screening compound: 1-(4-chlorophenyl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one
F595-0046 Screening compound: 1-(4-chlorophenyl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0046
1-(4-chlorophenyl)-2-({7-phenyl-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl}sulfanyl)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

F595-0046

Molecular Formula

C18H15ClN4OS (C18 H15 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(n1CC2)nnc1N2c1ccccc1)c(cc1)ccc1Cl

InChI

InChI=1S/C18H15ClN4OS/c19-14-8-6-13(7-9-14)16(24)12-25-18-21-20-17-22(10-11-23(17)18)15-4-2-1-3-5-15/h1-9H,10-12H2

InChI Key

WAHHEOVGEWRPFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08922582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.55

Polar Surface Area

39.969

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F595-0046 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F595-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0046?
Check Price and Availability of F595-0046, 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 F595-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0046
  • 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 F595-0046 available by request