F019-5806 Screening compound: 3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

F019-5806 Screening compound: 3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
F019-5806 Screening compound: 3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-5806
3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-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

F019-5806

Molecular Formula

C18H14ClN3OS (C18 H14 ClN3 OS)

Compound Name

3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

IUPAC name

3-(1-benzofuran-2-yl)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazole

SMILES

Cn1c(SCc(cccc2)c2Cl)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C18H14ClN3OS/c1-22-17(16-10-12-6-3-5-9-15(12)23-16)20-21-18(22)24-11-13-7-2-4-8-14(13)19/h2-10H,11H2,1H3

InChI Key

PSYKPGYKIAQWPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08670049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-5.82

Polar Surface Area

33.344

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F019-5806 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F019-5806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-5806?
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What is the minimum amount of F019-5806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-5806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-5806
  • 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 F019-5806 available by request