V005-9728 Screening compound: 2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V005-9728 Screening compound: 2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V005-9728 Screening compound: 2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9728
2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V005-9728

Molecular Formula

C24H20N4O2S (C24 H20 N4 O2 S)

Compound Name

2-({[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

IUPAC name

2-({[5-(35-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCc(cccc2)c2C#N)cc(OC)c1

InChI

InChI=1S/C24H20N4O2S/c1-29-21-12-19(13-22(14-21)30-2)23-26-27-24(28(23)20-10-4-3-5-11-20)31-16-18-9-7-6-8-17(18)15-25/h3-14H,16H2,1-2H3

InChI Key

IIJBHMASTVHWHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843520

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.51

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

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.75

Polar Surface Area

56.856

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V005-9728 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 V005-9728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9728?
Check Price and Availability of V005-9728, 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 V005-9728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9728
  • 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 V005-9728 available by request