F447-0052 Screening compound: 6-(4-methoxybenzenesulfonamido)-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound F447-0052
6-(4-methoxybenzenesulfonamido)-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
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
F447-0052
Molecular Formula
C26H25N5O5S (C26 H25 N5 O5 S)
Compound Name
6-(4-methoxybenzenesulfonamido)-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
IUPAC name
6-(4-methoxybenzenesulfonamido)-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILES
COc(cc1)ccc1S(Nc(ccc1nc(N(CC2)CCN2c2ncccc2)c2)cc1c2C(O)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
3HCl
Molecular Weight
519.58
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
5.146
Distribution Coefficient, logD
2.202
Water Solubility, LogSw
-4.95
Polar Surface Area
99.858
Acid Dissociation Constant (pKa)
4.46
Base Dissociation Constant (pKb)
5.52
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
F447-0052 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antimitotic Tubulin Library (17355 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with F447-0052 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)