F447-0304 Screening compound: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(thiophene-2-sulfonamido)quinoline-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound F447-0304
2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(thiophene-2-sulfonamido)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
F447-0304
Molecular Formula
C26H24N4O5S2 (C26 H24 N4 O5 S2)
Compound Name
2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(thiophene-2-sulfonamido)quinoline-4-carboxylic acid
IUPAC name
2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(thiophene-2-sulfonamido)quinoline-4-carboxylic acid
SMILES
CC(c(cc1)ccc1N(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c3cccs3)(=O)=O)c2n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
3HCl
Molecular Weight
536.63
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.923
Distribution Coefficient, logD
1.979
Water Solubility, LogSw
-4.39
Polar Surface Area
98.648
Acid Dissociation Constant (pKa)
4.46
Base Dissociation Constant (pKb)
4.30
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
F447-0304 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
Immunological Library (6760 compounds)
PD-1/L1 Library (498 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- GPCR
- Others
- Receptor's ligands
References: we are preparing a list of scientific research reports with F447-0304 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)