F2603278Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
Moligand™, ≥99%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥99%
Product Properties
| ALogP | 1.1 |
|---|
Names and Identifiers
| Canonical Smiles | C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F |
|---|---|
| IUPAC Name | 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid |
| InChIKey | QFFGVLORLPOAEC-SNVBAGLBSA-N |
| INCHI | 1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1 |
| Isomeric SMILES | C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F |
| PubChem CID | 10178705 |
| Molecular Weight | 393.8 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Quinolines and derivatives
- Subclass Quinoline carboxylic acids
- Class Quinolines and derivatives
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Fluoroquinolones Chloroquinolines Aminoquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Azepanes Aryl chlorides Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Dihydroquinolone - Chloroquinoline - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepane - Aryl chloride - Aryl fluoride - Benzenoid - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Primary amine - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Streptococcus sanguinis (314 Activities)
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Streptococcus pneumoniae (31063 Activities)
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Fusobacterium sp. (55 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Legionella pneumophila (143 Activities)
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Enterobacter cloacae (7976 Activities)
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Klebsiella pneumoniae (43867 Activities)
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Proteus vulgaris (5823 Activities)
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Bacteroides fragilis (1445 Activities)
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Staphylococcus aureus (210822 Activities)
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Staphylococcus epidermidis (22802 Activities)
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Staphylococcus haemolyticus (1695 Activities)
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Staphylococcus hominis (482 Activities)
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Acinetobacter baumannii (41033 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Acinetobacter calcoaceticus (618 Activities)
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Moraxella catarrhalis (3334 Activities)
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Neisseria meningitidis (411 Activities)
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Citrobacter koseri (193 Activities)
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Citrobacter freundii (1864 Activities)
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Klebsiella aerogenes (4963 Activities)
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Escherichia coli (133304 Activities)
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Klebsiella oxytoca (929 Activities)
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Morganella morganii (1291 Activities)
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Proteus mirabilis (3894 Activities)
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Serratia marcescens (3237 Activities)
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Haemophilus influenzae (8812 Activities)
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Peptostreptococcus sp. (78 Activities)
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Staphylococcus warneri (476 Activities)
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Streptococcus salivarius (87 Activities)
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Streptococcus sp. (212 Activities)
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Streptococcus agalactiae (1777 Activities)
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Streptococcus pyogenes (16140 Activities)
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Enterococcus faecium (13803 Activities)
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Clostridium perfringens (1165 Activities)
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Listeria monocytogenes (2626 Activities)
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Enterococcus faecalis (29875 Activities)
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Cutibacterium acnes (887 Activities)
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Staphylococcus saprophyticus (562 Activities)
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Streptococcus mitis (390 Activities)
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Acinetobacter lwoffii (550 Activities)
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Stenotrophomonas maltophilia (1743 Activities)
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Staphylococcus lugdunensis (349 Activities)
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Streptococcus constellatus (189 Activities)
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Streptococcus equinus (217 Activities)
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Streptococcus oralis (178 Activities)
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Streptococcus intermedius (230 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 393.800 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 393.126 Da |
| Monoisotopic Mass | 393.126 Da |
| Topological Polar Surface Area | 86.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 656.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Documents & Articles
Solution Calculators
Reviews
Customer Reviews
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