C521-0523 Screening compound: 1-(2-fluorophenyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
Chemical Structure Depiction of ChemDiv screening compound C521-0523
1-(2-fluorophenyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
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
C521-0523
Molecular Formula
C23H23FN2O5S (C23 H23 FN2 O5 S)
Compound Name
1-(2-fluorophenyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
IUPAC name
1-(2-fluorophenyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
SMILES
COc(cc1)ccc1S(Cc1ccc(C(N(CC2)CCN2c(cccc2)c2F)=O)o1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
458.51
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.450
Distribution Coefficient, logD
3.450
Water Solubility, LogSw
-3.90
Polar Surface Area
63.996
Acid Dissociation Constant (pKa)
24.13
Base Dissociation Constant (pKb)
1.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.10
C521-0523 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Proteases Annotated Library (2868 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with C521-0523 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)