S698-0637 Screening compound: 1-[4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of ChemDiv screening compound S698-0637
1-[4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-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
S698-0637
Molecular Formula
C17H27N3O (C17 H27 N3 O)
Compound Name
1-[4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
IUPAC name
1-[4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILES
CC(C)CC(N(CC1)CCC1n1c(C2CC2)ncc1C)=O
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
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.829
Distribution Coefficient, logD
-0.945
Water Solubility, LogSw
-2.81
Polar Surface Area
28.452
Acid Dissociation Constant (pKa)
23.73
Base Dissociation Constant (pKb)
11.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
76.47
S698-0637 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with S698-0637 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)