7919-0052 Screening compound: 1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

7919-0052 Screening compound: 1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
7919-0052 Screening compound: 1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7919-0052
1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-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

7919-0052

Molecular Formula

C23H18FN3O2S (C23 H18 FN3 O2 S)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

COc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(c(cc1)ccc1F)=O

InChI

InChI=1S/C23H18FN3O2S/c1-29-20-13-9-17(10-14-20)22-25-26-23(27(22)19-5-3-2-4-6-19)30-15-21(28)16-7-11-18(24)12-8-16/h2-14H,15H2,1H3

InChI Key

FOSKTNDNRRMEKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.65

Polar Surface Area

45.503

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

7919-0052 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 7919-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7919-0052?
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What is the minimum amount of 7919-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7919-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7919-0052
  • 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 7919-0052 available by request