E589-1864 Screening compound: N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

E589-1864 Screening compound: N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
E589-1864 Screening compound: N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1864
N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-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

E589-1864

Molecular Formula

C21H24N4O4S2 (C21 H24 N4 O4 S2)

Compound Name

N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-(5-methylpyridin-2-yl)-2-[3-oxo-6-(piperidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

Cc(cc1)cnc1NC(CN1c(cc(cc2)S(N3CCCCC3)(=O)=O)c2SCC1=O)=O

InChI

InChI=1S/C21H24N4O4S2/c1-15-5-8-19(22-12-15)23-20(26)13-25-17-11-16(6-7-18(17)30-14-21(25)27)31(28,29)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,23,26)

InChI Key

XYDKGMYHEAJWAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.37

Polar Surface Area

80.184

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E589-1864 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1864?
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What is the minimum amount of E589-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1864
  • 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 E589-1864 available by request