E228-2821 Screening compound: 4-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide

E228-2821 Screening compound: 4-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
E228-2821 Screening compound: 4-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-2821
4-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]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

E228-2821

Molecular Formula

C24H31FN4O2 (C24 H31 FN4 O2)

Compound Name

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

IUPAC name

4-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide

SMILES

CC1N(CCCNC(CCCN(c(cc(cc2)F)c2-n2c3ccc2)C3=O)=O)CCCC1

InChI

InChI=1S/C24H31FN4O2/c1-18-7-2-3-13-27(18)14-6-12-26-23(30)9-5-16-29-22-17-19(25)10-11-20(22)28-15-4-8-21(28)24(29)31/h4,8,10-11,15,17-18H,2-3,5-7,9,12-14,16H2,1H3,(H,26,30)/t18-/m0/s1

InChI Key

QNSYFYVCQBFALM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14850211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

-0.633

Water Solubility, LogSw

-2.83

Polar Surface Area

44.690

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E228-2821 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E228-2821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-2821?
Check Price and Availability of E228-2821, 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 E228-2821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-2821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-2821
  • 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 E228-2821 available by request