V016-4452 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole

V016-4452 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
V016-4452 Screening compound: 3-(3,5-dimethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4452
3-(3,5-dimethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-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

V016-4452

Molecular Formula

C24H22FN3O3S (C24 H22 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCc2cc(F)ccc2)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C24H22FN3O3S/c1-29-20-9-7-19(8-10-20)28-23(17-12-21(30-2)14-22(13-17)31-3)26-27-24(28)32-15-16-5-4-6-18(25)11-16/h4-14H,15H2,1-3H3

InChI Key

QDQGGMSTKAKATP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844723

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.59

Polar Surface Area

47.344

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V016-4452 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V016-4452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4452?
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What is the minimum amount of V016-4452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4452
  • 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 V016-4452 available by request