S733-0946 Screening compound: N-benzyl-1-cyclohexyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S733-0946
N-benzyl-1-cyclohexyl-4-oxo-1,5-diazacycloundecane-8-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
S733-0946
Molecular Formula
C23H35N3O2 (C23 H35 N3 O2)
Compound Name
N-benzyl-1-cyclohexyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
IUPAC name
N-benzyl-1-cyclohexyl-4-oxo-15-diazacycloundecane-8-carboxamide
SMILES
O=C(C(CCCN(CC1)C2CCCCC2)CCNC1=O)NCc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
385.55
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.905
Distribution Coefficient, logD
0.505
Water Solubility, LogSw
-2.13
Polar Surface Area
53.292
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
8.78
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
65.22
S733-0946 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
Macrocycles Library (2450 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S733-0946 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)