E228-3068 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-butylbutanamide

E228-3068 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-butylbutanamide
E228-3068 Screening compound: 4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-butylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-3068
4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-butylbutanamide

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

E228-3068

Molecular Formula

C19H22BrN3O2 (C19 H22 BrN3 O2)

Compound Name

4-{7-bromo-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-butylbutanamide

IUPAC name

4-{7-bromo-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-butylbutanamide

SMILES

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

InChI

InChI=1S/C19H22BrN3O2/c1-2-3-10-21-18(24)7-5-12-23-17-13-14(20)8-9-15(17)22-11-4-6-16(22)19(23)25/h4,6,8-9,11,13H,2-3,5,7,10,12H2,1H3,(H,21,24)

InChI Key

YUEDHFFQLOYQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27598749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.57

Polar Surface Area

41.529

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E228-3068 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 E228-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-3068?
Check Price and Availability of E228-3068, 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 E228-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-3068
  • 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 E228-3068 available by request