V011-5906 Screening compound: 3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V011-5906 Screening compound: 3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V011-5906 Screening compound: 3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5906
3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

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

V011-5906

Molecular Formula

C22H17F3N4S (C22 H17 F3 N4 S)

Compound Name

3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

3-[4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazol-3-yl]pyridine

SMILES

Cc(cccc1)c1-n1c(SCc2c(C(F)(F)F)cccc2)nnc1-c1cnccc1

InChI

InChI=1S/C22H17F3N4S/c1-15-7-2-5-11-19(15)29-20(16-9-6-12-26-13-16)27-28-21(29)30-14-17-8-3-4-10-18(17)22(23,24)25/h2-13H,14H2,1H3

InChI Key

PUUHAETULVJUFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06915052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.01

Polar Surface Area

33.929

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V011-5906 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V011-5906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5906?
Check Price and Availability of V011-5906, 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 V011-5906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5906
  • 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 V011-5906 available by request