V008-8746 Screening compound: 3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole

V008-8746 Screening compound: 3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
V008-8746 Screening compound: 3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8746
3-benzyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-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

V008-8746

Molecular Formula

C23H20FN3S (C23 H20 FN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc(cc2)ccc2F)nnc1Cc1ccccc1

InChI

InChI=1S/C23H20FN3S/c1-17-7-13-21(14-8-17)27-22(15-18-5-3-2-4-6-18)25-26-23(27)28-16-19-9-11-20(24)12-10-19/h2-14H,15-16H2,1H3

InChI Key

ZZPBLUGKOKIXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19777412

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.25

Polar Surface Area

25.689

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V008-8746 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 V008-8746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8746?
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What is the minimum amount of V008-8746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8746
  • 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 V008-8746 available by request