J007-1117 Screening compound: 2-(4-methylphenyl)-N-(propan-2-yl)azepane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound J007-1117
2-(4-methylphenyl)-N-(propan-2-yl)azepane-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
J007-1117
Molecular Formula
C17H26N2O (C17 H26 N2 O)
Compound Name
2-(4-methylphenyl)-N-(propan-2-yl)azepane-1-carboxamide
IUPAC name
2-(4-methylphenyl)-N-(propan-2-yl)azepane-1-carboxamide
SMILES
CC(C)NC(N(CCCCC1)C1c1ccc(C)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
274.41
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.162
Distribution Coefficient, logD
4.162
Water Solubility, LogSw
-4.01
Polar Surface Area
26.029
Acid Dissociation Constant (pKa)
17.53
Base Dissociation Constant (pKb)
1.52
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
58.80
J007-1117 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with J007-1117 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)