MCULE-2179054835
- 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 | 5 USD | 98 | 16 working days | Get Quote |
5 mg | 5 USD | 98 | 16 working days | Get Quote |
10 mg | 5 USD | 98 | 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-2179054835.sdf |
SMILES | MCULE-2179054835.smiles |
Standard InChI | MCULE-2179054835.inchi |
InChIKey | MCULE-2179054835.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867553080 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875711294 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881672735 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505392976 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-606865864 | AmBeed | In stock | N/A | As is | in stock |
P-489108280 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596942202 | Angene | Building Blocks in stock | 98 | As is | 138.313 g |
P-872728392 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864202852 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584627953 | BLD pharm | In-stock building blocks | 98 | As is | 137.213 g |
P-505576519 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
P-868579096 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-870660046 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505514269 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-504531222 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-524444100 | Key Organics | Biochemicals | 97 | As is | 100 mg |
P-854719692 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474022485 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878641305 | Molnova | Stock | 98 | As is | in stock |
P-579714388 | Paragos | In-stock compounds | N/A | As is | in stock |
P-500404180 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885540065 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617402521 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888656352 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869161118 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-873223637 | TimTec | Building Block Collection | 90 | As is | in stock |
P-886921066 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 262.690 |
logP | 3.5582 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 62.22 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 70.716 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |