S779-2196 Screening compound: 2-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-5-methoxy-1H-indole
Chemical Structure Depiction of ChemDiv screening compound S779-2196
2-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-5-methoxy-1H-indole
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
S779-2196
Molecular Formula
C23H28N4O2 (C23 H28 N4 O2)
Compound Name
2-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-5-methoxy-1H-indole
IUPAC name
2-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-5-methoxy-1H-indole
SMILES
Cc1cnc(C2CCC2)n1CC(CC1)CN1C(c1cc(cc(cc2)OC)c2[nH]1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.793
Distribution Coefficient, logD
1.545
Water Solubility, LogSw
-3.81
Polar Surface Area
45.515
Acid Dissociation Constant (pKa)
15.10
Base Dissociation Constant (pKb)
9.65
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.83
S779-2196 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CNS BBB Library (22607 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
- 3D
- Mimetics
- Mimetics
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S779-2196 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)