E228-1393 Screening compound: N-(4-methylphenyl)-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide

E228-1393 Screening compound: N-(4-methylphenyl)-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide
E228-1393 Screening compound: N-(4-methylphenyl)-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1393
N-(4-methylphenyl)-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}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

E228-1393

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

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

IUPAC name

N-(4-methylphenyl)-4-{4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}butanamide

SMILES

Cc(cc1)ccc1NC(CCCN(c(cccc1)c1-n1c2ccc1)C2=O)=O

InChI

InChI=1S/C22H21N3O2/c1-16-10-12-17(13-11-16)23-21(26)9-5-15-25-19-7-3-2-6-18(19)24-14-4-8-20(24)22(25)27/h2-4,6-8,10-14H,5,9,15H2,1H3,(H,23,26)

InChI Key

ZZEWFPVICCLQOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.68

Polar Surface Area

40.093

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E228-1393 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E228-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1393?
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What is the minimum amount of E228-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1393
  • 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 E228-1393 available by request