E786-1159 Screening compound: methyl 2-{6-[(3-acetylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1159 Screening compound: methyl 2-{6-[(3-acetylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1159 Screening compound: methyl 2-{6-[(3-acetylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1159
methyl 2-{6-[(3-acetylphenyl)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

E786-1159

Molecular Formula

C19H18N2O6S2 (C19 H18 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NS(c(cc2)cc(N3CC(OC)=O)c2SCC3=O)(=O)=O)c1)=O

InChI

InChI=1S/C19H18N2O6S2/c1-12(22)13-4-3-5-14(8-13)20-29(25,26)15-6-7-17-16(9-15)21(10-19(24)27-2)18(23)11-28-17/h3-9,20H,10-11H2,1-2H3

InChI Key

XMQWVVXPLKJDIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.76

Polar Surface Area

90.946

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E786-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1159?
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What is the minimum amount of E786-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1159
  • 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 E786-1159 available by request