E228-1717 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

E228-1717 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide
E228-1717 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1717
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

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

E228-1717

Molecular Formula

C26H29FN4O2 (C26 H29 FN4 O2)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-2-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}acetamide

SMILES

CC(C)N(CCCNC(CN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C26H29FN4O2/c1-19(2)29(17-20-8-4-3-5-9-20)14-7-13-28-25(32)18-31-24-16-21(27)11-12-22(24)30-15-6-10-23(30)26(31)33/h3-6,8-12,15-16,19H,7,13-14,17-18H2,1-2H3,(H,28,32)

InChI Key

VJKAICNGDWNSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-3.83

Polar Surface Area

44.876

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E228-1717 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E228-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1717?
Check Price and Availability of E228-1717, 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 E228-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1717
  • 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 E228-1717 available by request