S733-0813 Screening compound: N-benzyl-4-oxo-1-(2-phenylacetyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S733-0813
N-benzyl-4-oxo-1-(2-phenylacetyl)-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
S733-0813
Molecular Formula
C25H31N3O3 (C25 H31 N3 O3)
Compound Name
N-benzyl-4-oxo-1-(2-phenylacetyl)-1,5-diazacycloundecane-8-carboxamide
IUPAC name
N-benzyl-4-oxo-1-(2-phenylacetyl)-15-diazacycloundecane-8-carboxamide
SMILES
O=C(Cc1ccccc1)N(CCCC(CCN1)C(NCc2ccccc2)=O)CCC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
421.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.262
Distribution Coefficient, logD
1.262
Water Solubility, LogSw
-1.62
Polar Surface Area
66.127
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
3.49
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
S733-0813 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 S733-0813 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)