6186-1109 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

6186-1109 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
6186-1109 Screening compound: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-1109
2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)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

6186-1109

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(4H-124-triazol-3-ylsulfanyl)-1-(224-trimethyl-4-phenyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(CSc2nnc[nH]2)=O)c2c1cccc2

InChI

InChI=1S/C22H24N4OS/c1-21(2)14-22(3,16-9-5-4-6-10-16)17-11-7-8-12-18(17)26(21)19(27)13-28-20-23-15-24-25-20/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)/t22-/m0/s1

InChI Key

ZTKYNNYXODEYQV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01796537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.76

Polar Surface Area

47.950

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

6186-1109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6186-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-1109?
Check Price and Availability of 6186-1109, 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 6186-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-1109
  • 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 6186-1109 available by request