S733-0789 Screening compound: N-benzyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S733-0789
N-benzyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-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
S733-0789
Molecular Formula
C28H35N3O4 (C28 H35 N3 O4)
Compound Name
N-benzyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
IUPAC name
N-benzyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-oxo-15-diazacycloundecane-8-carboxamide
SMILES
COc1ccc(C2(CC2)C(N(CCCC(CCN2)C(NCc3ccccc3)=O)CCC2=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
477.6
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.564
Distribution Coefficient, logD
1.564
Water Solubility, LogSw
-1.91
Polar Surface Area
74.450
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
1.90
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.43
S733-0789 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S733-0789 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)