E525-0241 Screening compound: 3-methyl-N~3~-(4-methylcyclohexyl)-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E525-0241
3-methyl-N~3~-(4-methylcyclohexyl)-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-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
E525-0241
Molecular Formula
C25H35N5O3 (C25 H35 N5 O3)
Compound Name
3-methyl-N~3~-(4-methylcyclohexyl)-2-(2-morpholinoethyl)-1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole-3-carboxamide
IUPAC name
12-methyl-N-(4-methylcyclohexyl)-11-[2-(morpholin-4-yl)ethyl]-10-oxo-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-12-carboxamide
SMILES
CC(CC1)CCC1NC(C(C)(Cn1c2nc3c1cccc3)N(CCN1CCOCC1)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
453.58
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.530
Distribution Coefficient, logD
3.520
Water Solubility, LogSw
-3.49
Polar Surface Area
62.172
Acid Dissociation Constant (pKa)
14.64
Base Dissociation Constant (pKb)
5.78
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
64.00
E525-0241 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cyclic Ugi PPI Library (9586 compounds)
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
PI3K-Targeted Library (17255 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Developmental Pathway (Hh/Wnt) Set (2238 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Kinases
- GPCR
- Kinases
- Others
References: we are preparing a list of scientific research reports with E525-0241 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)