S069-3965 Screening compound: 5-{[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]sulfonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of ChemDiv screening compound S069-3965
5-{[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]sulfonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-one
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
S069-3965
Molecular Formula
C19H22N4O4S (C19 H22 N4 O4 S)
Compound Name
5-{[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-pyrrolidinyl]sulfonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-one
IUPAC name
5-{[3-(5-cyclopropyl-124-oxadiazol-3-yl)pyrrolidin-1-yl]sulfonyl}-33-dimethyl-23-dihydro-1H-indol-2-one
SMILES
CC(C)(c(cc(cc1)S(N(CC2)CC2c2noc(C3CC3)n2)(=O)=O)c1N1)C1=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
402.47
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.196
Distribution Coefficient, logD
3.196
Water Solubility, LogSw
-3.52
Polar Surface Area
89.421
Acid Dissociation Constant (pKa)
10.86
Base Dissociation Constant (pKb)
-0.83
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.63
S069-3965 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Indole Derivatives (10091 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- GPCR
- Cyclic compounds
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S069-3965 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)