V011-4077 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole

V011-4077 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole
V011-4077 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4077
3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-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

V011-4077

Molecular Formula

C24H22FN3O2S (C24 H22 FN3 O2 S)

Compound Name

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

IUPAC name

3-(35-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2)c2F)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C24H22FN3O2S/c1-16-8-4-7-11-22(16)28-23(18-12-19(29-2)14-20(13-18)30-3)26-27-24(28)31-15-17-9-5-6-10-21(17)25/h4-14H,15H2,1-3H3

InChI Key

AUELLHQKXWEHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843582

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.52

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

6.002

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-5.59

Polar Surface Area

39.499

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V011-4077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4077?
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What is the minimum amount of V011-4077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4077
  • 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 V011-4077 available by request