E589-4159 Screening compound: 2-METHYL-7-[(4-METHYLPIPERIDINO)SULFONYL]-2,3-DIHYDRO[1,4]THIAZINO[2,3,4-HI]INDOL-5(6H)-ONE

E589-4159 Screening compound: 2-METHYL-7-[(4-METHYLPIPERIDINO)SULFONYL]-2,3-DIHYDRO[1,4]THIAZINO[2,3,4-HI]INDOL-5(6H)-ONE
E589-4159 Screening compound: 2-METHYL-7-[(4-METHYLPIPERIDINO)SULFONYL]-2,3-DIHYDRO[1,4]THIAZINO[2,3,4-HI]INDOL-5(6H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-4159
2-METHYL-7-[(4-METHYLPIPERIDINO)SULFONYL]-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

E589-4159

Molecular Formula

C17H22N2O3S2 (C17 H22 N2 O3 S2)

Compound Name

2-METHYL-7-[(4-METHYLPIPERIDINO)SULFONYL]-2,3-DIHYDRO[1,4]THIAZINO[2,3,4-HI]INDOL-5(6H)-ONE

IUPAC name

n/a

SMILES

CC(CC1)CCN1S(c(cc1)c(C2)c3c1SC(C)CN3C2=O)(=O)=O

InChI

InChI=1S/C17H22N2O3S2/c1-11-5-7-18(8-6-11)24(21,22)15-4-3-14-17-13(15)9-16(20)19(17)10-12(2)23-14/h3-4,11-12H,5-10H2,1-2H3/t12-/m1/s1

InChI Key

LEIPWHUFAAIVQM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14900956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

2.905

Water Solubility, LogSw

-3.29

Polar Surface Area

49.486

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

E589-4159 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 E589-4159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-4159?
Check Price and Availability of E589-4159, 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 E589-4159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-4159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-4159
  • 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 E589-4159 available by request