V010-9814 Screening compound: 3-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V010-9814 Screening compound: 3-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V010-9814 Screening compound: 3-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9814
3-({[5-(4-methoxyphenyl)-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

V010-9814

Molecular Formula

C23H18N4OS (C23 H18 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCc1cc(C#N)ccc1

InChI

InChI=1S/C23H18N4OS/c1-28-21-12-10-19(11-13-21)22-25-26-23(27(22)20-8-3-2-4-9-20)29-16-18-7-5-6-17(14-18)15-24/h2-14H,16H2,1H3

InChI Key

MMSWONZOZIFMMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11239298

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.72

Polar Surface Area

49.313

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V010-9814 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 V010-9814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9814?
Check Price and Availability of V010-9814, 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 V010-9814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9814
  • 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 V010-9814 available by request