E228-3086 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide

E228-3086 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide
E228-3086 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-3086
4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide

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

E228-3086

Molecular Formula

C23H30BrN5O2 (C23 H30 BrN5 O2)

Compound Name

4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide

IUPAC name

4-{7-bromo-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]butanamide

SMILES

CCN1CCN(CCNC(CCCN(c(cc(cc2)Br)c2-n2c3ccc2)C3=O)=O)CC1

InChI

InChI=1S/C23H30BrN5O2/c1-2-26-13-15-27(16-14-26)12-9-25-22(30)6-4-11-29-21-17-18(24)7-8-19(21)28-10-3-5-20(28)23(29)31/h3,5,7-8,10,17H,2,4,6,9,11-16H2,1H3,(H,25,30)

InChI Key

JICBZOWJLMYIHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27598758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

1.079

Water Solubility, LogSw

-2.43

Polar Surface Area

48.776

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E228-3086 in Drug Discovery

Included in Screening Libraries

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

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 E228-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-3086?
Check Price and Availability of E228-3086, 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 E228-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-3086
  • 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 E228-3086 available by request