Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3651545554
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 USD | 97 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3651545554.sdf |
| SMILES | MCULE-3651545554.smiles |
| Standard InChI | MCULE-3651545554.inchi |
| InChIKey | MCULE-3651545554.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867639173 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875804911 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-881672897 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590399503 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851939544 | AmBeed | In stock | N/A | As is | in stock |
| P-489162033 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596985480 | Angene | Building Blocks in stock | 97 | As is | 235 g |
| P-864146353 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666961716 | BLD pharm | In-stock building blocks | 98 | As is | 15 g |
| P-868609741 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-868660326 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862138987 | FluoroChem | General BB | N/A | As is | in stock |
| P-870661262 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-563583892 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-856041236 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31249002 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-854693509 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-888172497 | Molnova | On demand | 98 | As is | by synthesis |
| P-500412509 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885536810 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617403674 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869178462 | TargetMol | Natural Products | 95 | As is | 583 mg |
| P-502366774 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-615410276 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.503 |
| logP | 6.7226 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 17 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 95.2188 |
| Atoms | 59 |
| Rings | 0 |
| Heavy atoms | 21 |
| Hydrogen atoms | 38 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
