E711-0178 Screening compound: N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E711-0178
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-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
E711-0178
Molecular Formula
C26H33ClN4O2 (C26 H33 ClN4 O2)
Compound Name
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
IUPAC name
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-3-(4-chlorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carboxamide
SMILES
CCCCN(CCNC(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)=O)Cc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.03
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.763
Distribution Coefficient, logD
5.574
Water Solubility, LogSw
-5.84
Polar Surface Area
47.023
Acid Dissociation Constant (pKa)
13.35
Base Dissociation Constant (pKb)
7.14
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.20
E711-0178 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with E711-0178 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)