S688-3110 Screening compound: N-{1-[3-(1H-indol-3-yl)propanoyl]-4-(2-methoxyethyl)piperidin-4-yl}benzamide
Chemical Structure Depiction of ChemDiv screening compound S688-3110
N-{1-[3-(1H-indol-3-yl)propanoyl]-4-(2-methoxyethyl)piperidin-4-yl}benzamide
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
S688-3110
Molecular Formula
C26H31N3O3 (C26 H31 N3 O3)
Compound Name
N-{1-[3-(1H-indol-3-yl)propanoyl]-4-(2-methoxyethyl)piperidin-4-yl}benzamide
IUPAC name
N-{1-[3-(1H-indol-3-yl)propanoyl]-4-(2-methoxyethyl)piperidin-4-yl}benzamide
SMILES
COCCC(CC1)(CCN1C(CCc1c[nH]c2c1cccc2)=O)NC(c1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
433.55
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.942
Distribution Coefficient, logD
2.942
Water Solubility, LogSw
-3.31
Polar Surface Area
58.836
Acid Dissociation Constant (pKa)
14.96
Base Dissociation Constant (pKb)
5.07
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.46
S688-3110 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S688-3110 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)