E589-2123 Screening compound: 6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

E589-2123 Screening compound: 6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
E589-2123 Screening compound: 6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2123
6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

E589-2123

Molecular Formula

C18H23N3O5S2 (C18 H23 N3 O5 S2)

Compound Name

6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-(morpholine-4-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)N1CCCC1

InChI

InChI=1S/C18H23N3O5S2/c22-17(19-5-1-2-6-19)12-21-15-11-14(3-4-16(15)27-13-18(21)23)28(24,25)20-7-9-26-10-8-20/h3-4,11H,1-2,5-10,12-13H2

InChI Key

PTBSBIHIZQIPFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.918

Distribution Coefficient, logD

0.918

Water Solubility, LogSw

-2.34

Polar Surface Area

71.997

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E589-2123 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-2123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2123?
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What is the minimum amount of E589-2123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2123
  • 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 E589-2123 available by request