E589-1546 Screening compound: N-(3-acetylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E589-1546 Screening compound: N-(3-acetylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E589-1546 Screening compound: N-(3-acetylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1546
N-(3-acetylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-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

E589-1546

Molecular Formula

C22H23N3O7S (C22 H23 N3 O7 S)

Compound Name

N-(3-acetylphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

n/a

SMILES

CC(c1cccc(NC(CN2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3OCC2=O)=O)c1)=O

InChI

InChI=1S/C22H23N3O7S/c1-15(26)16-3-2-4-17(11-16)23-21(27)13-25-19-12-18(5-6-20(19)32-14-22(25)28)33(29,30)24-7-9-31-10-8-24/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,27)

InChI Key

SQQPQMOVDDHYJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-2.61

Polar Surface Area

100.664

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E589-1546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E589-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1546?
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What is the minimum amount of E589-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1546
  • 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 E589-1546 available by request