F595-0313 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

F595-0313 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
F595-0313 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F595-0313
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

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

F595-0313

Molecular Formula

C22H24FN5O3S (C22 H24 FN5 O3 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H,6H,7H-imidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[7-(4-fluorophenyl)-5H6H7H-imidazo[21-c][124]triazol-3-yl]sulfanyl}acetamide

SMILES

COc(ccc(CCNC(CSc(n1CC2)nnc1N2c(cc1)ccc1F)=O)c1)c1OC

InChI

InChI=1S/C22H24FN5O3S/c1-30-18-8-3-15(13-19(18)31-2)9-10-24-20(29)14-32-22-26-25-21-27(11-12-28(21)22)17-6-4-16(23)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,24,29)

InChI Key

NQNJVKDCSDDWMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.340

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.87

Polar Surface Area

66.296

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F595-0313 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F595-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F595-0313?
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What is the minimum amount of F595-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F595-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F595-0313
  • 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 F595-0313 available by request