6807-1948 Screening compound: N-(4-ethoxybenzenesulfonyl)-4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide

6807-1948 Screening compound: N-(4-ethoxybenzenesulfonyl)-4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide
6807-1948 Screening compound: N-(4-ethoxybenzenesulfonyl)-4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6807-1948
N-(4-ethoxybenzenesulfonyl)-4-methoxy-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)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

6807-1948

Molecular Formula

C23H19NO7S2 (C23 H19 NO7 S2)

Compound Name

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

IUPAC name

N-(4-ethoxybenzenesulfonyl)-4-methoxy-N-(2-oxo-2H-13-benzoxathiol-5-yl)benzamide

SMILES

CCOc(cc1)ccc1S(N(C(c(cc1)ccc1OC)=O)c(cc1)cc(S2)c1OC2=O)(=O)=O

InChI

InChI=1S/C23H19NO7S2/c1-3-30-18-9-11-19(12-10-18)33(27,28)24(22(25)15-4-7-17(29-2)8-5-15)16-6-13-20-21(14-16)32-23(26)31-20/h4-14H,3H2,1-2H3

InChI Key

DFNFVXLHHGJZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05805518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.37

Polar Surface Area

82.286

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-17.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

6807-1948 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6807-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6807-1948?
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What is the minimum amount of 6807-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6807-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6807-1948
  • 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 6807-1948 available by request