V004-6754 Screening compound: 3-methyl-4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V004-6754 Screening compound: 3-methyl-4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V004-6754 Screening compound: 3-methyl-4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6754
3-methyl-4-(2-methylphenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

V004-6754

Molecular Formula

C18H16F3N3S (C18 H16 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c2c(C)cccc2)nnc1SCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C18H16F3N3S/c1-12-7-3-6-10-16(12)24-13(2)22-23-17(24)25-11-14-8-4-5-9-15(14)18(19,20)21/h3-10H,11H2,1-2H3

InChI Key

GUYQISBNGDCBII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15269649

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

363.41

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

4.518

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.47

Polar Surface Area

25.460

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V004-6754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6754?
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What is the minimum amount of V004-6754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6754
  • 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 V004-6754 available by request