V006-8518 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole

V006-8518 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole
V006-8518 Screening compound: 3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8518
3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(3-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

V006-8518

Molecular Formula

C20H16FN3OS (C20 H16 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc3cc(F)ccc3)nnc2-c2ccco2)c1

InChI

InChI=1S/C20H16FN3OS/c1-14-5-2-8-17(11-14)24-19(18-9-4-10-25-18)22-23-20(24)26-13-15-6-3-7-16(21)12-15/h2-12H,13H2,1H3

InChI Key

PPQPGOHUUKJTIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772259

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

365.43

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

4.929

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-4.79

Polar Surface Area

33.291

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V006-8518 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-8518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8518?
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What is the minimum amount of V006-8518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8518
  • 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 V006-8518 available by request