E218-0694 Screening compound: 7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E218-0694
7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-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
E218-0694
Molecular Formula
C27H40N4O3 (C27 H40 N4 O3)
Compound Name
7-{2-[cyclohexyl(methyl)amino]ethyl}-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
IUPAC name
10-{2-[cyclohexyl(methyl)amino]ethyl}-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide
SMILES
CC(CCCC1)C1NC(C(C)(Cn1c2cc3c1cco3)N(CCN(C)C1CCCCC1)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.64
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.592
Distribution Coefficient, logD
4.043
Water Solubility, LogSw
-4.28
Polar Surface Area
52.615
Acid Dissociation Constant (pKa)
14.94
Base Dissociation Constant (pKb)
7.81
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
70.40
E218-0694 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Library (67538 compounds)
Cyclic Ugi PPI Library (9586 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Anti-HIV1 Library (19540 compounds)
Developmental Pathway (Hh/Wnt) Set (2238 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Eye
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- Receptor's ligands
- Epigenetic
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- GPCR
- Ion Channels
- Others
- Kinases
- Others
References: we are preparing a list of scientific research reports with E218-0694 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)