E589-0844 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide

E589-0844 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide
E589-0844 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0844
3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide

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

E589-0844

Molecular Formula

C20H22N2O5S2 (C20 H22 N2 O5 S2)

Compound Name

3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide

IUPAC name

3-[(2-ethyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide

SMILES

CCC1Sc(ccc(S(CCC(Nc(cc2)ccc2OC)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C20H22N2O5S2/c1-3-17-20(24)22-16-12-15(8-9-18(16)28-17)29(25,26)11-10-19(23)21-13-4-6-14(27-2)7-5-13/h4-9,12,17H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1

InChI Key

SRHVCRDSPUVZHA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14900256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.65

Polar Surface Area

84.574

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E589-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0844?
Check Price and Availability of E589-0844, 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 E589-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0844
  • 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 E589-0844 available by request