E228-2493 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide
Chemical Structure Depiction of ChemDiv screening compound E228-2493
N-[2-(3,4-diethoxyphenyl)ethyl]-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
E228-2493
Molecular Formula
C26H28FN3O4 (C26 H28 FN3 O4)
Compound Name
N-[2-(3,4-diethoxyphenyl)ethyl]-3-{7-fluoro-4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}propanamide
IUPAC name
N-[2-(34-diethoxyphenyl)ethyl]-3-{7-fluoro-4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}propanamide
SMILES
CCOc(ccc(CCNC(CCN(c(cc(cc1)F)c1-n1c2ccc1)C2=O)=O)c1)c1OCC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
465.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.013
Distribution Coefficient, logD
3.013
Water Solubility, LogSw
-3.31
Polar Surface Area
55.677
Acid Dissociation Constant (pKa)
13.77
Base Dissociation Constant (pKb)
-0.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
E228-2493 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Annotated Library (21441 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with E228-2493 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)