6807-0052 Screening compound: 2,5-dimethoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

6807-0052 Screening compound: 2,5-dimethoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide
6807-0052 Screening compound: 2,5-dimethoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-0052
2,5-dimethoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

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

6807-0052

Molecular Formula

C19H15NO6S2 (C19 H15 NO6 S2)

Compound Name

2,5-dimethoxy-N-{2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl}benzene-1-sulfonamide

IUPAC name

25-dimethoxy-N-{2-oxo-2H-naphtho[21-d][13]oxathiol-5-yl}benzene-1-sulfonamide

SMILES

COc(cc1)cc(S(Nc(c2ccccc22)cc(S3)c2OC3=O)(=O)=O)c1OC

InChI

InChI=1S/C19H15NO6S2/c1-24-11-7-8-15(25-2)17(9-11)28(22,23)20-14-10-16-18(26-19(21)27-16)13-6-4-3-5-12(13)14/h3-10,20H,1-2H3

InChI Key

PBYLFVAKFCPOCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.25

Polar Surface Area

76.849

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6807-0052 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6807-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-0052?
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What is the minimum amount of 6807-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-0052
  • 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 6807-0052 available by request