V010-5938 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V010-5938 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V010-5938 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5938
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-({[4-(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

V010-5938

Molecular Formula

C25H22F3N3O2S (C25 H22 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C25H22F3N3O2S/c1-16-4-10-20(11-5-16)31-23(18-12-21(32-2)14-22(13-18)33-3)29-30-24(31)34-15-17-6-8-19(9-7-17)25(26,27)28/h4-14H,15H2,1-3H3

InChI Key

MSXGQKIEVAPZSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843623

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.375

Distribution Coefficient, logD

6.375

Water Solubility, LogSw

-5.68

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V010-5938 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-5938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5938?
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What is the minimum amount of V010-5938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5938
  • 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 V010-5938 available by request