V004-3076 Screening compound: 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V004-3076 Screening compound: 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V004-3076 Screening compound: 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3076
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[3-(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

V004-3076

Molecular Formula

C21H16F3N3O2S (C21 H16 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCc2cc(C(F)(F)F)ccc2)nnc1-c1ccco1

InChI

InChI=1S/C21H16F3N3O2S/c1-28-17-9-3-2-8-16(17)27-19(18-10-5-11-29-18)25-26-20(27)30-13-14-6-4-7-15(12-14)21(22,23)24/h2-12H,13H2,1H3

InChI Key

FVYJLENXTBPJIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775852

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-4.69

Polar Surface Area

40.620

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V004-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3076?
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What is the minimum amount of V004-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3076
  • 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 V004-3076 available by request