S213-1237 Screening compound: 1-cyclohexyl-3-[(oxolan-3-yl)methyl]-3-propylurea
Chemical Structure Depiction of ChemDiv screening compound S213-1237
1-cyclohexyl-3-[(oxolan-3-yl)methyl]-3-propylurea
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
S213-1237
Molecular Formula
C15H28N2O2 (C15 H28 N2 O2)
Compound Name
1-cyclohexyl-3-[(oxolan-3-yl)methyl]-3-propylurea
IUPAC name
1-cyclohexyl-3-[(oxolan-3-yl)methyl]-3-propylurea
SMILES
CCCN(CC1COCC1)C(NC1CCCCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
268.4
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.229
Distribution Coefficient, logD
3.229
Water Solubility, LogSw
-3.24
Polar Surface Area
35.261
Acid Dissociation Constant (pKa)
16.99
Base Dissociation Constant (pKb)
4.43
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
93.30
S213-1237 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)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
- PPI modulators
- Cancer
References: we are preparing a list of scientific research reports with S213-1237 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)