V008-4929 Screening compound: 2,5-difluorobenzyl [5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl] sulfide

V008-4929 Screening compound: 2,5-difluorobenzyl [5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl] sulfide
V008-4929 Screening compound: 2,5-difluorobenzyl [5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl] sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4929
2,5-difluorobenzyl [5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl] sulfide

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

V008-4929

Molecular Formula

C17H15F2N3S (C17 H15 F2 N3 S)

Compound Name

2,5-difluorobenzyl [5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl] sulfide

IUPAC name

3-{[(25-difluorophenyl)methyl]sulfanyl}-5-methyl-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(n1-c2c(C)cccc2)nnc1SCc(cc(cc1)F)c1F

InChI

InChI=1S/C17H15F2N3S/c1-11-5-3-4-6-16(11)22-12(2)20-21-17(22)23-10-13-9-14(18)7-8-15(13)19/h3-9H,10H2,1-2H3

InChI Key

PGNWSBMYZKKLPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772252

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.25

Polar Surface Area

25.460

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V008-4929 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V008-4929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4929?
Check Price and Availability of V008-4929, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-4929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4929
  • 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 V008-4929 available by request