D356-1758 Screening compound: ethyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}benzoate
Chemical Structure Depiction of ChemDiv screening compound D356-1758
ethyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}benzoate
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
D356-1758
Molecular Formula
C22H25FN2O5S (C22 H25 FN2 O5 S)
Compound Name
ethyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}benzoate
IUPAC name
ethyl 2-{1-[(2-fluorophenyl)methanesulfonyl]piperidine-4-amido}benzoate
SMILES
CCOC(c(cccc1)c1NC(C(CC1)CCN1S(Cc(cccc1)c1F)(=O)=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
448.52
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.399
Distribution Coefficient, logD
3.330
Water Solubility, LogSw
-3.57
Polar Surface Area
74.991
Acid Dissociation Constant (pKa)
8.17
Base Dissociation Constant (pKb)
-1.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.40
References: we are preparing a list of scientific research reports with D356-1758 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)