E228-1713 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

E228-1713 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide
E228-1713 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1713
N-[(2,3-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-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

E228-1713

Molecular Formula

C22H20FN3O4 (C22 H20 FN3 O4)

Compound Name

N-[(2,3-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}acetamide

SMILES

COc1cccc(CNC(CN(c(cc(cc2)F)c2-n2c3ccc2)C3=O)=O)c1OC

InChI

InChI=1S/C22H20FN3O4/c1-29-19-7-3-5-14(21(19)30-2)12-24-20(27)13-26-18-11-15(23)8-9-16(18)25-10-4-6-17(25)22(26)28/h3-11H,12-13H2,1-2H3,(H,24,27)

InChI Key

ZMGXWNMYDCKAHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.34

Polar Surface Area

56.785

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E228-1713 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E228-1713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1713?
Check Price and Availability of E228-1713, 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 E228-1713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1713
  • 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 E228-1713 available by request