E589-2518 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

E589-2518 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
E589-2518 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2518
N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-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

E589-2518

Molecular Formula

C19H21N3O5S2 (C19 H21 N3 O5 S2)

Compound Name

N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2SCC1=O)NCc1ccco1

InChI

InChI=1S/C19H21N3O5S2/c23-18(20-11-14-4-3-9-27-14)12-22-16-10-15(5-6-17(16)28-13-19(22)24)29(25,26)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11-13H2,(H,20,23)

InChI Key

ADEJWDZBCUHOHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.79

Polar Surface Area

79.916

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E589-2518 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E589-2518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2518?
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What is the minimum amount of E589-2518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2518
  • 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 E589-2518 available by request