MCULE-5635162015
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 21 USD | 97 | 16 working days | Get Quote |
5 mg | 46 USD | 98 | 16 working days | Get Quote |
10 mg | 65 USD | 97 | 16 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-5635162015.sdf |
SMILES | MCULE-5635162015.smiles |
Standard InChI | MCULE-5635162015.inchi |
InChIKey | MCULE-5635162015.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867679504 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875857707 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869297037 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610924548 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-606847704 | AmBeed | In stock | N/A | As is | in stock |
P-865932151 | Angene | Building Blocks in stock | 97 | As is | 5.295 g |
P-872727646 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-872696707 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868545046 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
P-590595448 | BLD pharm | In-stock building blocks | 97 | As is | 5.295 g |
P-851314901 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860800236 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861381852 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579481896 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-868079139 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-855925881 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-854715884 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584622512 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878641322 | Molnova | Stock | 98 | As is | in stock |
P-617404244 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888656071 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869160844 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-868497604 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 408.486 |
logP | 4.1806 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 63.49 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 116.2977 |
Atoms | 51 |
Rings | 3 |
Heavy atoms | 28 |
Hydrogen atoms | 23 |
Heteroatoms | 8 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |