S213-1630 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-methyl-3-[(oxolan-3-yl)methyl]urea
Chemical Structure Depiction of ChemDiv screening compound S213-1630
1-(3-chloro-4-fluorophenyl)-3-methyl-3-[(oxolan-3-yl)methyl]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
S213-1630
Molecular Formula
C13H16ClFN2O2 (C13 H16 ClFN2 O2)
Compound Name
1-(3-chloro-4-fluorophenyl)-3-methyl-3-[(oxolan-3-yl)methyl]urea
IUPAC name
1-(3-chloro-4-fluorophenyl)-3-methyl-3-[(oxolan-3-yl)methyl]urea
SMILES
CN(CC1COCC1)C(Nc(cc1)cc(Cl)c1F)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
286.73
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.708
Distribution Coefficient, logD
2.707
Water Solubility, LogSw
-3.64
Polar Surface Area
34.174
Acid Dissociation Constant (pKa)
9.90
Base Dissociation Constant (pKb)
-0.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.15
S213-1630 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S213-1630 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)