V012-0343 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V012-0343 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V012-0343 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0343
3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-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

V012-0343

Molecular Formula

C21H20F3N3O2S (C21 H20 F3 N3 O2 S)

Compound Name

3-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(35-dimethoxyphenyl)-4-(prop-2-en-1-yl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

COc1cc(-c(n2CC=C)nnc2SCc2c(C(F)(F)F)cccc2)cc(OC)c1

InChI

InChI=1S/C21H20F3N3O2S/c1-4-9-27-19(15-10-16(28-2)12-17(11-15)29-3)25-26-20(27)30-13-14-7-5-6-8-18(14)21(22,23)24/h4-8,10-12H,1,9,13H2,2-3H3

InChI Key

CGFFMNMQTKKAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843553

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.59

Polar Surface Area

39.307

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V012-0343 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V012-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0343?
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What is the minimum amount of V012-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0343
  • 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 V012-0343 available by request