S688-0418 Screening compound: 3-ethyl-1-[4-(2-methoxyethyl)-1-(2-methylpropanoyl)piperidin-4-yl]urea
Chemical Structure Depiction of ChemDiv screening compound S688-0418
3-ethyl-1-[4-(2-methoxyethyl)-1-(2-methylpropanoyl)piperidin-4-yl]urea
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
S688-0418
Molecular Formula
C15H29N3O3 (C15 H29 N3 O3)
Compound Name
3-ethyl-1-[4-(2-methoxyethyl)-1-(2-methylpropanoyl)piperidin-4-yl]urea
IUPAC name
3-ethyl-1-[4-(2-methoxyethyl)-1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILES
CCNC(NC(CCOC)(CC1)CCN1C(C(C)C)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
299.41
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.990
Distribution Coefficient, logD
0.990
Water Solubility, LogSw
-1.94
Polar Surface Area
60.195
Acid Dissociation Constant (pKa)
17.31
Base Dissociation Constant (pKb)
3.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
86.67
S688-0418 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with S688-0418 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)