V014-2993 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

V014-2993 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
V014-2993 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2993
2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

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

V014-2993

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

IUPAC name

2-{[5-benzyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one

SMILES

Cc(cc1)ccc1-n1c(SCC(c(cc2)ccc2OC)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C25H23N3O2S/c1-18-8-12-21(13-9-18)28-24(16-19-6-4-3-5-7-19)26-27-25(28)31-17-23(29)20-10-14-22(30-2)15-11-20/h3-15H,16-17H2,1-2H3

InChI Key

AOQGUZJSTUTALP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050862

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.76

Polar Surface Area

46.479

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V014-2993 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with V014-2993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2993?
Check Price and Availability of V014-2993, 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 V014-2993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2993
  • 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 V014-2993 available by request