E228-1789 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

E228-1789 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
E228-1789 Screening compound: 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1789
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-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

E228-1789

Molecular Formula

C25H24FN3O2 (C25 H24 FN3 O2)

Compound Name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

IUPAC name

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-fluoro-4H5H-pyrrolo[12-a]quinoxalin-4-one

SMILES

O=C(CN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H24FN3O2/c26-20-8-9-21-23(16-20)29(25(31)22-7-4-12-28(21)22)17-24(30)27-13-10-19(11-14-27)15-18-5-2-1-3-6-18/h1-9,12,16,19H,10-11,13-15,17H2

InChI Key

BUUXHCDQOFWRHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.41

Polar Surface Area

33.087

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E228-1789 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E228-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1789?
Check Price and Availability of E228-1789, 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 E228-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1789
  • 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 E228-1789 available by request