S738-0990 Screening compound: 2-(1-cyclohexanecarbonylazetidin-3-yl)-1-(cyclopropylmethyl)-5-methyl-1H-imidazole
Chemical Structure Depiction of ChemDiv screening compound S738-0990
2-(1-cyclohexanecarbonylazetidin-3-yl)-1-(cyclopropylmethyl)-5-methyl-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
S738-0990
Molecular Formula
C18H27N3O (C18 H27 N3 O)
Compound Name
2-(1-cyclohexanecarbonylazetidin-3-yl)-1-(cyclopropylmethyl)-5-methyl-1H-imidazole
IUPAC name
2-(1-cyclohexanecarbonylazetidin-3-yl)-1-(cyclopropylmethyl)-5-methyl-1H-imidazole
SMILES
Cc1cnc(C(C2)CN2C(C2CCCCC2)=O)n1CC1CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
301.43
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.197
Distribution Coefficient, logD
1.851
Water Solubility, LogSw
-2.92
Polar Surface Area
28.713
Acid Dissociation Constant (pKa)
22.50
Base Dissociation Constant (pKb)
8.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
77.78
S738-0990 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S738-0990 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S738-0990, 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)