V010-5949 Screening compound: 3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

V010-5949 Screening compound: 3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
V010-5949 Screening compound: 3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5949
3-(benzylsulfanyl)-5-(4-fluorophenyl)-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

V010-5949

Molecular Formula

C22H18FN3S (C22 H18 FN3 S)

Compound Name

3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCc2ccccc2)nnc1-c(cc1)ccc1F

InChI

InChI=1S/C22H18FN3S/c1-16-7-13-20(14-8-16)26-21(18-9-11-19(23)12-10-18)24-25-22(26)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3

InChI Key

HUQGQJRFPGATKI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.70

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V010-5949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5949?
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What is the minimum amount of V010-5949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5949
  • 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 V010-5949 available by request