V009-5284 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole

V009-5284 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole
V009-5284 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5284
3-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(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

V009-5284

Molecular Formula

C23H19F2N3OS (C23 H19 F2 N3 OS)

Compound Name

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

IUPAC name

3-{[(24-difluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-c(n1-c(cc2)ccc2OC)nnc1SCc(ccc(F)c1)c1F

InChI

InChI=1S/C23H19F2N3OS/c1-15-5-3-4-6-20(15)22-26-27-23(28(22)18-9-11-19(29-2)12-10-18)30-14-16-7-8-17(24)13-21(16)25/h3-13H,14H2,1-2H3

InChI Key

SQSPBLGLNWHWNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10462756

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.49

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

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.66

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V009-5284 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V009-5284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5284?
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What is the minimum amount of V009-5284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5284
  • 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 V009-5284 available by request