E228-1686 Screening compound: 2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

E228-1686 Screening compound: 2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
E228-1686 Screening compound: 2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-1686
2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]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

E228-1686

Molecular Formula

C21H25FN4O2 (C21 H25 FN4 O2)

Compound Name

2-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

IUPAC name

2-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

SMILES

CC1N(CCNC(CN(c(cc(cc2)F)c2-n2c3ccc2)C3=O)=O)CCCC1

InChI

InChI=1S/C21H25FN4O2/c1-15-5-2-3-10-24(15)12-9-23-20(27)14-26-19-13-16(22)7-8-17(19)25-11-4-6-18(25)21(26)28/h4,6-8,11,13,15H,2-3,5,9-10,12,14H2,1H3,(H,23,27)/t15-/m0/s1

InChI Key

OOTVNWXNEGTETP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14850002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.109

Distribution Coefficient, logD

0.352

Water Solubility, LogSw

-2.85

Polar Surface Area

44.712

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

E228-1686 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E228-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-1686?
Check Price and Availability of E228-1686, 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 E228-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-1686
  • 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 E228-1686 available by request