C561-0159 Screening compound: 3-(benzylsulfanyl)-N-cyclopentyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound C561-0159
3-(benzylsulfanyl)-N-cyclopentyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
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
C561-0159
Molecular Formula
C23H26N2O2S (C23 H26 N2 O2 S)
Compound Name
3-(benzylsulfanyl)-N-cyclopentyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
IUPAC name
(2R)-3-(benzylsulfanyl)-N-cyclopentyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide
SMILES
O=C(C(CSCc1ccccc1)N(Cc1c2cccc1)C2=O)NC1CCCC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
394.54
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.106
Distribution Coefficient, logD
4.106
Water Solubility, LogSw
-4.33
Polar Surface Area
40.481
Acid Dissociation Constant (pKa)
15.33
Base Dissociation Constant (pKb)
3.81
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
39.10
C561-0159 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epigenetics Focused Set (26518 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Kinases
- PPI modulators
References: we are preparing a list of scientific research reports with C561-0159 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)