V007-1857 Screening compound: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V007-1857 Screening compound: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V007-1857 Screening compound: 3-(3,5-dimethoxyphenyl)-4-phenyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-1857
3-(3,5-dimethoxyphenyl)-4-phenyl-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

V007-1857

Molecular Formula

C24H20F3N3O2S (C24 H20 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCc2ccc(C(F)(F)F)cc2)cc(OC)c1

InChI

InChI=1S/C24H20F3N3O2S/c1-31-20-12-17(13-21(14-20)32-2)22-28-29-23(30(22)19-6-4-3-5-7-19)33-15-16-8-10-18(11-9-16)24(25,26)27/h3-14H,15H2,1-2H3

InChI Key

PGKSKACXYHMNCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843500

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.5

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

5.830

Distribution Coefficient, logD

5.830

Water Solubility, LogSw

-5.67

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

16.70

V007-1857 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 V007-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-1857?
Check Price and Availability of V007-1857, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V007-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-1857
  • 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 V007-1857 available by request