S779-2139 Screening compound: 5-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-1H-indole
Chemical Structure Depiction of ChemDiv screening compound S779-2139
5-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-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
S779-2139
Molecular Formula
C22H26N4O (C22 H26 N4 O)
Compound Name
5-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-1H-indole
IUPAC name
5-{3-[(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)methyl]pyrrolidine-1-carbonyl}-1H-indole
SMILES
Cc1cnc(C2CCC2)n1CC(CC1)CN1C(c(cc1)cc2c1[nH]cc2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.47
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.865
Distribution Coefficient, logD
0.617
Water Solubility, LogSw
-3.05
Polar Surface Area
38.404
Acid Dissociation Constant (pKa)
17.05
Base Dissociation Constant (pKb)
9.65
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
45.46
S779-2139 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Nervous system
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S779-2139 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S779-2139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)