V017-7880 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone

V017-7880 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone
V017-7880 Screening compound: 2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7880
2-{[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-pyrrolidinyl)-1-ethanone

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

V017-7880

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCC(N2CCCC2)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C22H24N4OS/c1-17-9-11-19(12-10-17)26-20(15-18-7-3-2-4-8-18)23-24-22(26)28-16-21(27)25-13-5-6-14-25/h2-4,7-12H,5-6,13-16H2,1H3

InChI Key

LQXNPGHLTASECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

392.52

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

3.888

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-3.82

Polar Surface Area

42.447

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V017-7880 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with V017-7880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7880?
Check Price and Availability of V017-7880, 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 V017-7880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7880
  • 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 V017-7880 available by request