V004-7450 Screening compound: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V004-7450 Screening compound: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V004-7450 Screening compound: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7450
3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-{[(3-methylphenyl)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

V004-7450

Molecular Formula

C24H23N3OS (C24 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc2cc(C)ccc2)nnc1-c1cc(OC)ccc1

InChI

InChI=1S/C24H23N3OS/c1-17-10-12-21(13-11-17)27-23(20-8-5-9-22(15-20)28-3)25-26-24(27)29-16-19-7-4-6-18(2)14-19/h4-15H,16H2,1-3H3

InChI Key

VCHGPLODYJILBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775896

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.520

Distribution Coefficient, logD

6.520

Water Solubility, LogSw

-5.78

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V004-7450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-7450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7450?
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What is the minimum amount of V004-7450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7450
  • 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 V004-7450 available by request