F052-0475 Screening compound: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinoline
Chemical Structure Depiction of ChemDiv screening compound F052-0475
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinoline
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
F052-0475
Molecular Formula
C27H34N4O2S (C27 H34 N4 O2 S)
Compound Name
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinoline
IUPAC name
2-[4-(23-dimethylphenyl)piperazin-1-yl]-6-[(4-methylpiperidin-1-yl)sulfonyl]quinoline
SMILES
CC(CC1)CCN1S(c1cc2ccc(N(CC3)CCN3c3c(C)c(C)ccc3)nc2cc1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
478.66
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.281
Distribution Coefficient, logD
6.281
Water Solubility, LogSw
-6.00
Polar Surface Area
46.155
Acid Dissociation Constant (pKa)
24.01
Base Dissociation Constant (pKb)
3.50
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.40
F052-0475 in Drug Discovery
Included in Screening Libraries
SmartTM Library (51161 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with F052-0475 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)