E228-3066 Screening compound: 7-bromo-5-(4-oxo-4-piperidinobutyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one

E228-3066 Screening compound: 7-bromo-5-(4-oxo-4-piperidinobutyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
E228-3066 Screening compound: 7-bromo-5-(4-oxo-4-piperidinobutyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-3066
7-bromo-5-(4-oxo-4-piperidinobutyl)pyrrolo[1,2-a]quinoxalin-4(5H)-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

E228-3066

Molecular Formula

C20H22BrN3O2 (C20 H22 BrN3 O2)

Compound Name

7-bromo-5-(4-oxo-4-piperidinobutyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one

IUPAC name

7-bromo-5-[4-oxo-4-(piperidin-1-yl)butyl]-4H5H-pyrrolo[12-a]quinoxalin-4-one

SMILES

O=C(CCCN(c(cc(cc1)Br)c1-n1c2ccc1)C2=O)N1CCCCC1

InChI

InChI=1S/C20H22BrN3O2/c21-15-8-9-16-18(14-15)24(20(26)17-6-4-12-23(16)17)13-5-7-19(25)22-10-2-1-3-11-22/h4,6,8-9,12,14H,1-3,5,7,10-11,13H2

InChI Key

LIHGAXAOGFMXKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.32

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

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.69

Polar Surface Area

33.336

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E228-3066 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E228-3066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-3066?
Check Price and Availability of E228-3066, 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 E228-3066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-3066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-3066
  • 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 E228-3066 available by request