E228-1777 Screening compound: 7-fluoro-5-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

E228-1777 Screening compound: 7-fluoro-5-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
E228-1777 Screening compound: 7-fluoro-5-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1777
7-fluoro-5-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

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

E228-1777

Molecular Formula

C22H18FN3O2 (C22 H18 FN3 O2)

Compound Name

7-fluoro-5-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

IUPAC name

7-fluoro-5-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-4H5H-pyrrolo[12-a]quinoxalin-4-one

SMILES

O=C(CN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H18FN3O2/c23-17-7-8-18-20(12-17)26(22(28)19-6-3-10-25(18)19)14-21(27)24-11-9-15-4-1-2-5-16(15)13-24/h1-8,10,12H,9,11,13-14H2

InChI Key

YABPRSCPROTMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.57

Polar Surface Area

33.020

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E228-1777 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E228-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1777?
Check Price and Availability of E228-1777, 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 E228-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1777
  • 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 E228-1777 available by request