E786-1141 Screening compound: ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamido]benzoate

E786-1141 Screening compound: ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamido]benzoate
E786-1141 Screening compound: ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1141
ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamido]benzoate

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

E786-1141

Molecular Formula

C20H20N2O7S2 (C20 H20 N2 O7 S2)

Compound Name

ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamido]benzoate

IUPAC name

ethyl 4-[4-(2-methoxy-2-oxoethyl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamido]benzoate

SMILES

CCOC(c(cc1)ccc1NS(c(cc1)cc(N2CC(OC)=O)c1SCC2=O)(=O)=O)=O

InChI

InChI=1S/C20H20N2O7S2/c1-3-29-20(25)13-4-6-14(7-5-13)21-31(26,27)15-8-9-17-16(10-15)22(11-19(24)28-2)18(23)12-30-17/h4-10,21H,3,11-12H2,1-2H3

InChI Key

WXBSMGLHGSHSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.289

Water Solubility, LogSw

-3.61

Polar Surface Area

97.873

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E786-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1141?
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What is the minimum amount of E786-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1141
  • 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 E786-1141 available by request