E228-2642 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide

E228-2642 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide
E228-2642 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E228-2642
N-[(2,5-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide

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

E228-2642

Molecular Formula

C23H22FN3O4 (C23 H22 FN3 O4)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}propanamide

SMILES

COc(cc1)cc(CNC(CCN(c(cc(cc2)F)c2-n2c3ccc2)C3=O)=O)c1OC

InChI

InChI=1S/C23H22FN3O4/c1-30-17-6-8-21(31-2)15(12-17)14-25-22(28)9-11-27-20-13-16(24)5-7-18(20)26-10-3-4-19(26)23(27)29/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,25,28)

InChI Key

OEVFDXFWIJXHFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.44

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

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.78

Polar Surface Area

56.590

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E228-2642 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 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
  • Pool
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E228-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E228-2642?
Check Price and Availability of E228-2642, 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 E228-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E228-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E228-2642
  • 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 E228-2642 available by request