E228-1353 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide
Chemical Structure Depiction of ChemDiv screening compound E228-1353
N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}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
E228-1353
Molecular Formula
C23H23N3O3 (C23 H23 N3 O3)
Compound Name
N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}butanamide
IUPAC name
N-[(2-methoxyphenyl)methyl]-4-{4-oxo-4H5H-pyrrolo[12-a]quinoxalin-5-yl}butanamide
SMILES
COc1c(CNC(CCCN(c(cccc2)c2-n2c3ccc2)C3=O)=O)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
389.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.107
Distribution Coefficient, logD
3.107
Water Solubility, LogSw
-3.38
Polar Surface Area
49.046
Acid Dissociation Constant (pKa)
13.01
Base Dissociation Constant (pKb)
-0.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.70
E228-1353 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Human Kinases Annotated Library (2415 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with E228-1353 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)