E228-1696 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide

E228-1696 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}propyl)-2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}acetamide
E228-1696 Screening compound: N-(3-{[1,4'-bipiperidin]-1'-yl}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 E228-1696
N-(3-{[1,4'-bipiperidin]-1'-yl}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

E228-1696

Molecular Formula

C26H34FN5O2 (C26 H34 FN5 O2)

Compound Name

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

IUPAC name

N-(3-{[14'-bipiperidin]-1'-yl}propyl)-2-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}acetamide

SMILES

O=C(CN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)NCCCN(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C26H34FN5O2/c27-20-7-8-22-24(18-20)32(26(34)23-6-4-15-31(22)23)19-25(33)28-11-5-12-29-16-9-21(10-17-29)30-13-2-1-3-14-30/h4,6-8,15,18,21H,1-3,5,9-14,16-17,19H2,(H,28,33)

InChI Key

QVKUEHATGAUIGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-2.98

Polar Surface Area

48.355

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

E228-1696 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E228-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1696?
Check Price and Availability of E228-1696, 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 E228-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1696
  • 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 E228-1696 available by request