E228-1353 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide

E228-1353 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide
E228-1353 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1353
N-[(2-methoxyphenyl)methyl]-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

E228-1353

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

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

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}butanamide

SMILES

COc1c(CNC(CCCN(c(cccc2)c2-n2c3ccc2)C3=O)=O)cccc1

InChI

InChI=1S/C23H23N3O3/c1-29-21-12-5-2-8-17(21)16-24-22(27)13-7-15-26-19-10-4-3-9-18(19)25-14-6-11-20(25)23(26)28/h2-6,8-12,14H,7,13,15-16H2,1H3,(H,24,27)

InChI Key

ZYBLJAMJSQZQMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.38

Polar Surface Area

49.046

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E228-1353 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E228-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1353?
Check Price and Availability of E228-1353, 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 E228-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1353
  • 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 E228-1353 available by request