S691-1087 Screening compound: 2-[(1-cyclobutanecarbonylpyrrolidin-3-yl)methyl]-5-methyl-1-propyl-1H-imidazole
Chemical Structure Depiction of ChemDiv screening compound S691-1087
2-[(1-cyclobutanecarbonylpyrrolidin-3-yl)methyl]-5-methyl-1-propyl-1H-imidazole
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
S691-1087
Molecular Formula
C17H27N3O (C17 H27 N3 O)
Compound Name
2-[(1-cyclobutanecarbonylpyrrolidin-3-yl)methyl]-5-methyl-1-propyl-1H-imidazole
IUPAC name
2-[(1-cyclobutanecarbonylpyrrolidin-3-yl)methyl]-5-methyl-1-propyl-1H-imidazole
SMILES
CCCn1c(CC(CC2)CN2C(C2CCC2)=O)ncc1C
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
289.42
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.309
Distribution Coefficient, logD
0.569
Water Solubility, LogSw
-2.06
Polar Surface Area
29.849
Acid Dissociation Constant (pKa)
23.62
Base Dissociation Constant (pKb)
9.13
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
76.47
S691-1087 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S691-1087 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S691-1087, 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)