6791-0027 Screening compound: 2,5-dimethyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

6791-0027 Screening compound: 2,5-dimethyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide
6791-0027 Screening compound: 2,5-dimethyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6791-0027
2,5-dimethyl-N-(2-oxo-2H-1,3-benzoxathiol-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

6791-0027

Molecular Formula

C15H13NO4S2 (C15 H13 NO4 S2)

Compound Name

2,5-dimethyl-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzene-1-sulfonamide

IUPAC name

25-dimethyl-N-(2-oxo-2H-13-benzoxathiol-5-yl)benzene-1-sulfonamide

SMILES

Cc1cc(S(Nc(cc2)cc(S3)c2OC3=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C15H13NO4S2/c1-9-3-4-10(2)14(7-9)22(18,19)16-11-5-6-12-13(8-11)21-15(17)20-12/h3-8,16H,1-2H3

InChI Key

DTIFVFDGLMVEPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.88

Polar Surface Area

62.960

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-11.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6791-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6791-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6791-0027?
Check Price and Availability of 6791-0027, 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 6791-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6791-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6791-0027
  • 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 6791-0027 available by request