Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3755928227
Compound
Show structure
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 | 98 | 15 working days | Get Quote |
| 5 mg | 8 USD | 98 | 15 working days | Get Quote |
| 10 mg | 8 USD | 98 | 15 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-3755928227.sdf |
| SMILES | MCULE-3755928227.smiles |
| Standard InChI | MCULE-3755928227.inchi |
| InChIKey | MCULE-3755928227.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886556480 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890145028 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580216198 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-436468397 | Alinda | Building Blocks | 95 | As is | 100 g |
| P-34858264 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-885359162 | AmBeed | In stock | N/A | As is | in stock |
| P-895094770 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-585261546 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-889790273 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-890247156 | BLD pharm | In-stock building blocks | 98 | As is | 2 g |
| P-454628566 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868555316 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862068124 | FluoroChem | General BB | N/A | As is | in stock |
| P-502528542 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503209945 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596603691 | Key Organics | Building Blocks | 95 | As is | 4 g |
| P-31197723 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852447906 | Matrix Scientific | All | N/A | As is | in stock |
| P-854763248 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12479233 | Otava | In-House Stock Library | 90 | As is | 250 mg |
| P-888440629 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855357326 | Toronto Research | In stock | 90 | As is | in stock |
| P-424791492 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 183.633 |
| logP | 2.6798 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.7307 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
