S733-3266 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S733-3266
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-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
S733-3266
Molecular Formula
C23H40N6O4S (C23 H40 N6 O4 S)
Compound Name
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
IUPAC name
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-15-diazacycloundecane-8-carboxamide
SMILES
CC1CCN(CCCNC(C(CCCN(CC2)S(c3cn(C)cn3)(=O)=O)CCNC2=O)=O)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
496.67
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
-0.607
Distribution Coefficient, logD
-3.125
Water Solubility, LogSw
-1.75
Polar Surface Area
97.953
Acid Dissociation Constant (pKa)
14.20
Base Dissociation Constant (pKb)
9.92
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
78.26
S733-3266 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 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
- Nervous system
- GPCR
- Ion Channels
References: we are preparing a list of scientific research reports with S733-3266 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)