E786-1230 Screening compound: methyl 2-{6-[(3-bromophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1230 Screening compound: methyl 2-{6-[(3-bromophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1230 Screening compound: methyl 2-{6-[(3-bromophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1230
methyl 2-{6-[(3-bromophenyl)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

E786-1230

Molecular Formula

C17H15BrN2O5S2 (C17 H15 BrN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(CN1c(cc(cc2)S(Nc3cccc(Br)c3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C17H15BrN2O5S2/c1-25-17(22)9-20-14-8-13(5-6-15(14)26-10-16(20)21)27(23,24)19-12-4-2-3-11(18)7-12/h2-8,19H,9-10H2,1H3

InChI Key

WYAYDPGMVQUTBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.35

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

3.047

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.63

Polar Surface Area

77.119

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E786-1230 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 E786-1230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1230?
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What is the minimum amount of E786-1230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1230
  • 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 E786-1230 available by request