E228-1563 Screening compound: methyl 2-(2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamido)benzoate

E228-1563 Screening compound: methyl 2-(2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamido)benzoate
E228-1563 Screening compound: methyl 2-(2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1563
methyl 2-(2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamido)benzoate

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

E228-1563

Molecular Formula

C21H16FN3O4 (C21 H16 FN3 O4)

Compound Name

methyl 2-(2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)=O)=O

InChI

InChI=1S/C21H16FN3O4/c1-29-21(28)14-5-2-3-6-15(14)23-19(26)12-25-18-11-13(22)8-9-16(18)24-10-4-7-17(24)20(25)27/h2-11H,12H2,1H3,(H,23,26)

InChI Key

STEBAFOURUOZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.54

Polar Surface Area

60.591

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E228-1563 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E228-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1563?
Check Price and Availability of E228-1563, 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 E228-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1563
  • 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 E228-1563 available by request