E589-1459 Screening compound: N-(4-methoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

E589-1459 Screening compound: N-(4-methoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
E589-1459 Screening compound: N-(4-methoxyphenyl)-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 E589-1459
N-(4-methoxyphenyl)-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

E589-1459

Molecular Formula

C21H23N3O7S (C21 H23 N3 O7 S)

Compound Name

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

IUPAC name

N-(4-methoxyphenyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

COc(cc1)ccc1NC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C21H23N3O7S/c1-29-16-4-2-15(3-5-16)22-20(25)13-24-18-12-17(6-7-19(18)31-14-21(24)26)32(27,28)23-8-10-30-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,25)

InChI Key

HYNOPSUSKYQWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-2.68

Polar Surface Area

94.381

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E589-1459 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with E589-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1459?
Check Price and Availability of E589-1459, 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 E589-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1459
  • 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 E589-1459 available by request