E786-1216 Screening compound: methyl 2-[6-(benzylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate

E786-1216 Screening compound: methyl 2-[6-(benzylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate
E786-1216 Screening compound: methyl 2-[6-(benzylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1216
methyl 2-[6-(benzylsulfamoyl)-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

E786-1216

Molecular Formula

C18H18N2O5S2 (C18 H18 N2 O5 S2)

Compound Name

methyl 2-[6-(benzylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate

IUPAC name

methyl 2-[6-(benzylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetate

SMILES

COC(CN1c(cc(cc2)S(NCc3ccccc3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C18H18N2O5S2/c1-25-18(22)11-20-15-9-14(7-8-16(15)26-12-17(20)21)27(23,24)19-10-13-5-3-2-4-6-13/h2-9,19H,10-12H2,1H3

InChI Key

GGTBOWZYDRRWAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.82

Polar Surface Area

78.228

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E786-1216 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E786-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1216?
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What is the minimum amount of E786-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1216
  • 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 E786-1216 available by request