E786-1134 Screening compound: methyl 2-{6-[(3-chloro-2-methylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1134 Screening compound: methyl 2-{6-[(3-chloro-2-methylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1134 Screening compound: methyl 2-{6-[(3-chloro-2-methylphenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1134
methyl 2-{6-[(3-chloro-2-methylphenyl)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

E786-1134

Molecular Formula

C18H17ClN2O5S2 (C18 H17 ClN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NS(c(cc1)cc(N2CC(OC)=O)c1SCC2=O)(=O)=O)ccc1)c1Cl

InChI

InChI=1S/C18H17ClN2O5S2/c1-11-13(19)4-3-5-14(11)20-28(24,25)12-6-7-16-15(8-12)21(9-18(23)26-2)17(22)10-27-16/h3-8,20H,9-10H2,1-2H3

InChI Key

WFXHTSCCXYLNBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-3.48

Polar Surface Area

76.421

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E786-1134 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E786-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1134?
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What is the minimum amount of E786-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1134
  • 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 E786-1134 available by request