V012-0631 Screening compound: 4-(3-methylphenyl)-3-(thiophen-2-yl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V012-0631 Screening compound: 4-(3-methylphenyl)-3-(thiophen-2-yl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V012-0631 Screening compound: 4-(3-methylphenyl)-3-(thiophen-2-yl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0631
4-(3-methylphenyl)-3-(thiophen-2-yl)-5-({[4-(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

V012-0631

Molecular Formula

C21H16F3N3S2 (C21 H16 F3 N3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2cccs2)c1

InChI

InChI=1S/C21H16F3N3S2/c1-14-4-2-5-17(12-14)27-19(18-6-3-11-28-18)25-26-20(27)29-13-15-7-9-16(10-8-15)21(22,23)24/h2-12H,13H2,1H3

InChI Key

SFARSMJXCFMIQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844376

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.51

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

6.173

Distribution Coefficient, logD

6.173

Water Solubility, LogSw

-5.79

Polar Surface Area

25.731

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V012-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0631?
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What is the minimum amount of V012-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0631
  • 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 V012-0631 available by request