8019-8870 Screening compound: 2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline

8019-8870 Screening compound: 2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline
8019-8870 Screening compound: 2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8870
2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline

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

8019-8870

Molecular Formula

C26H22N4S (C26 H22 N4 S)

Compound Name

2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinoline

IUPAC name

2-{[(45-dibenzyl-4H-124-triazol-3-yl)sulfanyl]methyl}quinoline

SMILES

C(c(n1Cc2ccccc2)nnc1SCc1nc2ccccc2cc1)c1ccccc1

InChI

InChI=1S/C26H22N4S/c1-3-9-20(10-4-1)17-25-28-29-26(30(25)18-21-11-5-2-6-12-21)31-19-23-16-15-22-13-7-8-14-24(22)27-23/h1-16H,17-19H2

InChI Key

FIWKQLOJDSMIGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-6.84

Polar Surface Area

33.771

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8019-8870 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-8870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8870?
Check Price and Availability of 8019-8870, 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 8019-8870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8870
  • 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 8019-8870 available by request