Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5789357535
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 | 19 USD | 97 | 8 working days | Get Quote |
| 5 mg | 19 USD | 97 | 8 working days | Get Quote |
| 10 mg | 19 USD | 97 | 8 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-5789357535.sdf |
| SMILES | MCULE-5789357535.smiles |
| Standard InChI | MCULE-5789357535.inchi |
| InChIKey | MCULE-5789357535.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867642429 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-852070298 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-875808659 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874606456 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-615722429 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893566413 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 174.75 g |
| P-606861457 | AmBeed | In stock | N/A | As is | in stock |
| P-851917458 | AmBeed | On request | N/A | As is | by synthesis |
| P-596969212 | Angene | Building Blocks in stock | 97 | As is | 75 g |
| P-864170790 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-591168922 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-580727053 | BLD pharm | In-stock building blocks | 97 | As is | 6.25 g |
| P-577181706 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868629828 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580378648 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-901405085 | FluoroChem | General BB | N/A | As is | in stock |
| P-502530859 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454412225 | Key Organics | Building Blocks | 95 | As is | 5.993 g |
| P-18768558 | Key Organics | Screening Compounds and Fragments | 95 | As is | 5.993 g |
| P-613315216 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852417366 | Matrix Scientific | All | N/A | As is | in stock |
| P-35206855 | Maybridge | Screening Collection | 90 | As is | 4.148 kg |
| P-901007207 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-873284922 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-596743904 | Synthonix | In-stock Building Blocks | 95 | As is | 87 g |
| P-502404200 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855247494 | Toronto Research | In stock | 90 | As is | in stock |
| P-615455832 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.247 |
| logP | 1.8585 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 62.58 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.3668 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
