V018-0671 Screening compound: 3-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole

V018-0671 Screening compound: 3-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole
V018-0671 Screening compound: 3-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0671
3-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-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

V018-0671

Molecular Formula

C20H15F2N3OS (C20 H15 F2 N3 OS)

Compound Name

3-{[(2,3-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-{[(23-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2F)c2F)nnc1-c1ccco1

InChI

InChI=1S/C20H15F2N3OS/c1-13-6-2-3-9-16(13)25-19(17-10-5-11-26-17)23-24-20(25)27-12-14-7-4-8-15(21)18(14)22/h2-11H,12H2,1H3

InChI Key

VAESJIRWFPIZJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844061

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.17

Polar Surface Area

32.990

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V018-0671 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V018-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0671?
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What is the minimum amount of V018-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0671
  • 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 V018-0671 available by request