V010-9461 Screening compound: 4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V010-9461 Screening compound: 4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V010-9461 Screening compound: 4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9461
4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-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

V010-9461

Molecular Formula

C23H16Cl2N4OS (C23 H16 Cl2 N4 OS)

Compound Name

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

IUPAC name

4-({[4-(34-dichlorophenyl)-5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

COc(cc1)ccc1-c(n1-c(cc2)cc(Cl)c2Cl)nnc1SCc(cc1)ccc1C#N

InChI

InChI=1S/C23H16Cl2N4OS/c1-30-19-9-6-17(7-10-19)22-27-28-23(29(22)18-8-11-20(24)21(25)12-18)31-14-16-4-2-15(13-26)3-5-16/h2-12H,14H2,1H3

InChI Key

RDHSLNUQTTULFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.38

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

6.057

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-6.39

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

V010-9461 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-9461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9461?
Check Price and Availability of V010-9461, 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 V010-9461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9461
  • 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 V010-9461 available by request