E589-2192 Screening compound: N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

E589-2192 Screening compound: N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
E589-2192 Screening compound: N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2192
N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

E589-2192

Molecular Formula

C22H25N3O6S2 (C22 H25 N3 O6 S2)

Compound Name

N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-(2-ethoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCOc(cccc1)c1NC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C22H25N3O6S2/c1-2-31-19-6-4-3-5-17(19)23-21(26)14-25-18-13-16(7-8-20(18)32-15-22(25)27)33(28,29)24-9-11-30-12-10-24/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,26)

InChI Key

LFDSDJHYOFHQPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-2.92

Polar Surface Area

84.900

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E589-2192 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 E589-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2192?
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What is the minimum amount of E589-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2192
  • 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 E589-2192 available by request