E589-4154 Screening compound: 7-{[4-(2-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one

E589-4154 Screening compound: 7-{[4-(2-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one
E589-4154 Screening compound: 7-{[4-(2-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-4154
7-{[4-(2-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-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

E589-4154

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

7-{[4-(2-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one

IUPAC name

5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-10-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-trien-2-one

SMILES

CC(C1)Sc(ccc(S(N(CC2)CCN2c(cccc2)c2OC)(=O)=O)c2C3)c2N1C3=O

InChI

InChI=1S/C22H25N3O4S2/c1-15-14-25-21(26)13-16-20(8-7-19(30-15)22(16)25)31(27,28)24-11-9-23(10-12-24)17-5-3-4-6-18(17)29-2/h3-8,15H,9-14H2,1-2H3/t15-/m1/s1

InChI Key

ABJBMENUWCREKN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14900953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-3.54

Polar Surface Area

60.076

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E589-4154 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E589-4154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-4154?
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What is the minimum amount of E589-4154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-4154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-4154
  • 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 E589-4154 available by request