E786-1142 Screening compound: methyl 2-{6-[(2,5-dimethoxyphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1142 Screening compound: methyl 2-{6-[(2,5-dimethoxyphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1142 Screening compound: methyl 2-{6-[(2,5-dimethoxyphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1142
methyl 2-{6-[(2,5-dimethoxyphenyl)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

E786-1142

Molecular Formula

C19H20N2O7S2 (C19 H20 N2 O7 S2)

Compound Name

methyl 2-{6-[(2,5-dimethoxyphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

IUPAC name

methyl 2-{6-[(25-dimethoxyphenyl)sulfamoyl]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl}acetate

SMILES

COC(CN1c(cc(cc2)S(Nc(cc(cc3)OC)c3OC)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C19H20N2O7S2/c1-26-12-4-6-16(27-2)14(8-12)20-30(24,25)13-5-7-17-15(9-13)21(10-19(23)28-3)18(22)11-29-17/h4-9,20H,10-11H2,1-3H3

InChI Key

PVQPAVSPWFATLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

0.878

Water Solubility, LogSw

-3.02

Polar Surface Area

91.595

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with E786-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1142?
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What is the minimum amount of E786-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1142
  • 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 E786-1142 available by request