V014-0420 Screening compound: 3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V014-0420 Screening compound: 3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V014-0420 Screening compound: 3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0420
3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V014-0420

Molecular Formula

C24H22N4OS (C24 H22 N4 OS)

Compound Name

3-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

3-({[5-benzyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc(cc1)ccc1-n1c(SCc2cc(C(N)=O)ccc2)nnc1Cc1ccccc1

InChI

InChI=1S/C24H22N4OS/c1-17-10-12-21(13-11-17)28-22(15-18-6-3-2-4-7-18)26-27-24(28)30-16-19-8-5-9-20(14-19)23(25)29/h2-14H,15-16H2,1H3,(H2,25,29)

InChI Key

UCXMFEJRVZOLOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627594

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.44

Polar Surface Area

59.748

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V014-0420 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V014-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0420?
Check Price and Availability of V014-0420, 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 V014-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0420
  • 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 V014-0420 available by request