E786-1104 Screening compound: methyl 2-{6-[(3-fluorophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1104 Screening compound: methyl 2-{6-[(3-fluorophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1104 Screening compound: methyl 2-{6-[(3-fluorophenyl)sulfamoyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1104
methyl 2-{6-[(3-fluorophenyl)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

E786-1104

Molecular Formula

C17H15FN2O5S2 (C17 H15 FN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(CN1c(cc(cc2)S(Nc3cc(F)ccc3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C17H15FN2O5S2/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

NXJYCRUIQWDJMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

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

2.392

Distribution Coefficient, logD

1.660

Water Solubility, LogSw

-2.94

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

References: we are preparing a list of scientific research reports with E786-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1104?
Check Price and Availability of E786-1104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E786-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1104
  • 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 E786-1104 available by request