E786-1099 Screening compound: methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1099 Screening compound: methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1099 Screening compound: methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1099
methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

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

E786-1099

Molecular Formula

C19H20N2O5S2 (C19 H20 N2 O5 S2)

Compound Name

methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

IUPAC name

methyl 2-{6-[(4-ethylphenyl)sulfamoyl]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl}acetate

SMILES

CCc(cc1)ccc1NS(c(cc1)cc(N2CC(OC)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C19H20N2O5S2/c1-3-13-4-6-14(7-5-13)20-28(24,25)15-8-9-17-16(10-15)21(11-19(23)26-2)18(22)12-27-17/h4-10,20H,3,11-12H2,1-2H3

InChI Key

RZVGZQPWYJJUQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.67

Polar Surface Area

77.119

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E786-1099 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E786-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1099?
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What is the minimum amount of E786-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1099
  • 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 E786-1099 available by request