E589-2561 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

E589-2561 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
E589-2561 Screening compound: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2561
4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-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

E589-2561

Molecular Formula

C19H26N4O4S2 (C19 H26 N4 O4 S2)

Compound Name

4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(CC1)CCN1C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C19H26N4O4S2/c1-20-8-10-21(11-9-20)18(24)13-23-16-12-15(4-5-17(16)28-14-19(23)25)29(26,27)22-6-2-3-7-22/h4-5,12H,2-3,6-11,13-14H2,1H3

InChI Key

WTCFTOWPKMAXDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

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

0.614

Distribution Coefficient, logD

0.483

Water Solubility, LogSw

-2.30

Polar Surface Area

67.565

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

E589-2561 in Drug Discovery

Included in Screening Libraries

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 E589-2561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2561?
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What is the minimum amount of E589-2561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2561
  • 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 E589-2561 available by request