V005-1416 Screening compound: 3-benzyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole

V005-1416 Screening compound: 3-benzyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
V005-1416 Screening compound: 3-benzyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1416
3-benzyl-5-{[(2-fluorophenyl)methyl]sulfanyl}-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

V005-1416

Molecular Formula

C23H20FN3S (C23 H20 FN3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2)c2F)nnc1Cc1ccccc1

InChI

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

InChI Key

BOVSJYMUFFMOBU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

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

5.668

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.65

Polar Surface Area

25.388

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with V005-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1416?
Check Price and Availability of V005-1416, 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 V005-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1416
  • 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 V005-1416 available by request