6202-0469 Screening compound: 2-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)acetamide

6202-0469 Screening compound: 2-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)acetamide
6202-0469 Screening compound: 2-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6202-0469
2-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)acetamide

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

6202-0469

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

2-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)acetamide

IUPAC name

2-(4-methoxyphenoxy)-N-(1234-tetrahydroquinoline-1-carbothioyl)acetamide

SMILES

COc(cc1)ccc1OCC(NC(N(CCC1)c2c1cccc2)=S)=O

InChI

InChI=1S/C19H20N2O3S/c1-23-15-8-10-16(11-9-15)24-13-18(22)20-19(25)21-12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,20,22,25)

InChI Key

NMDRMGKJEOHSGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03623162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-3.94

Polar Surface Area

38.810

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

6202-0469 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6202-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6202-0469?
Check Price and Availability of 6202-0469, 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 6202-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6202-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6202-0469
  • 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 6202-0469 available by request