4802-0198 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

4802-0198 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
4802-0198 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0198
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-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

4802-0198

Molecular Formula

C22H24N2O2S2 (C22 H24 N2 O2 S2)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-1-(6-methoxy-224-trimethyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(CC1(C)C)c(cc(cc2)OC)c2N1C(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C22H24N2O2S2/c1-14-12-22(2,3)24(18-10-9-15(26-4)11-16(14)18)20(25)13-27-21-23-17-7-5-6-8-19(17)28-21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1

InChI Key

AFXLHBRQFXVKKF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03176179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.26

Polar Surface Area

30.422

Acid Dissociation Constant (pKa)

20.04

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

4802-0198 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4802-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0198?
Check Price and Availability of 4802-0198, 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 4802-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0198
  • 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 4802-0198 available by request