6720-1033 Screening compound: 7,8-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide

6720-1033 Screening compound: 7,8-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide
6720-1033 Screening compound: 7,8-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6720-1033
7,8-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide

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

6720-1033

Molecular Formula

C22H17NO4S (C22 H17 NO4 S)

Compound Name

7,8-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide

IUPAC name

78-dimethoxy-N-(naphthalen-1-yl)-1-oxo-1H-isothiochromene-3-carboxamide

SMILES

COc1ccc(C=C(C(Nc2cccc3ccccc23)=O)SC2=O)c2c1OC

InChI

InChI=1S/C22H17NO4S/c1-26-17-11-10-14-12-18(28-22(25)19(14)20(17)27-2)21(24)23-16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,23,24)

InChI Key

MYTAUHGTONAVMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06305619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.60

Polar Surface Area

50.701

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

6720-1033 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6720-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6720-1033?
Check Price and Availability of 6720-1033, 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 6720-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6720-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6720-1033
  • 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 6720-1033 available by request