E234-2032 Screening compound: 3-methyl-N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E234-2032
3-methyl-N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
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
E234-2032
Molecular Formula
C26H31N3O2 (C26 H31 N3 O2)
Compound Name
3-methyl-N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
IUPAC name
3-methyl-N-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1-oxo-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide
SMILES
CC(C)CCNC(C(C)(Cn(c1c2)c3c2cccc3)N(Cc2cc(C)ccc2)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.55
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.616
Distribution Coefficient, logD
5.616
Water Solubility, LogSw
-6.13
Polar Surface Area
41.125
Acid Dissociation Constant (pKa)
13.25
Base Dissociation Constant (pKb)
3.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.50
E234-2032 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Cyclic Ugi PPI Library (9586 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- PPI modulators
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with E234-2032 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)