6807-1960 Screening compound: 4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide

6807-1960 Screening compound: 4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide
6807-1960 Screening compound: 4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-1960
4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide

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

6807-1960

Molecular Formula

C24H16N2O6S2 (C24 H16 N2 O6 S2)

Compound Name

4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide

IUPAC name

4-methoxy-N-(2-oxo-2H-13-benzoxathiol-5-yl)-N-(quinoline-8-sulfonyl)benzamide

SMILES

COc(cc1)ccc1C(N(c(cc1)cc(S2)c1OC2=O)S(c1cccc2cccnc12)(=O)=O)=O

InChI

InChI=1S/C24H16N2O6S2/c1-31-18-10-7-16(8-11-18)23(27)26(17-9-12-19-20(14-17)33-24(28)32-19)34(29,30)21-6-2-4-15-5-3-13-25-22(15)21/h2-14H,1H3

InChI Key

QDYVVRDIHRLSAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.74

Polar Surface Area

84.695

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

6807-1960 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6807-1960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-1960?
Check Price and Availability of 6807-1960, 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 6807-1960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-1960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-1960
  • 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 6807-1960 available by request