E786-1217 Screening compound: methyl 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate

E786-1217 Screening compound: methyl 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate
E786-1217 Screening compound: methyl 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1217
methyl 2-[6-(diethylsulfamoyl)-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

E786-1217

Molecular Formula

C15H20N2O5S2 (C15 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc(N2CC(OC)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C15H20N2O5S2/c1-4-16(5-2)24(20,21)11-6-7-13-12(8-11)17(9-15(19)22-3)14(18)10-23-13/h6-8H,4-5,9-10H2,1-3H3

InChI Key

XNPFLFDFIKVITR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14281046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.48

Polar Surface Area

67.566

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E786-1217 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E786-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1217?
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What is the minimum amount of E786-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1217
  • 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 E786-1217 available by request