V001-8676 Screening compound: 3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V001-8676 Screening compound: 3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V001-8676 Screening compound: 3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8676
3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-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

V001-8676

Molecular Formula

C19H18FN3OS (C19 H18 FN3 OS)

Compound Name

3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-(4-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

COc1c(CSc2nnc(-c(cc3)ccc3F)n2CC=C)cccc1

InChI

InChI=1S/C19H18FN3OS/c1-3-12-23-18(14-8-10-16(20)11-9-14)21-22-19(23)25-13-15-6-4-5-7-17(15)24-2/h3-11H,1,12-13H2,2H3

InChI Key

HFBJRMPCYBGGIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15188576

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.65

Polar Surface Area

31.850

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V001-8676 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V001-8676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8676?
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What is the minimum amount of V001-8676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8676
  • 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 V001-8676 available by request