Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4830736482
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 | 61 USD | 95 | 8 working days | Get Quote |
| 5 mg | 61 USD | 95 | 8 working days | Get Quote |
| 10 mg | 61 USD | 95 | 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-4830736482.sdf |
| SMILES | MCULE-4830736482.smiles |
| Standard InChI | MCULE-4830736482.inchi |
| InChIKey | MCULE-4830736482.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867553831 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875712555 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-870142217 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893506287 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 25.36 g |
| P-580259540 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606926793 | AmBeed | In stock | N/A | As is | in stock |
| P-619171424 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-895950606 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864158463 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-619602337 | BLD pharm | In-stock building blocks | 95 | As is | 1.1 g |
| P-871217106 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-872748283 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580397514 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-862090479 | FluoroChem | General BB | N/A | As is | in stock |
| P-579523252 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
| P-890212060 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-862264833 | KISHIDA CHEMICAL | K-BB | 95 | As is | 6.2 g |
| P-524175546 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-608084825 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-613280175 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852570681 | Matrix Scientific | All | N/A | As is | in stock |
| P-869094300 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888893737 | PharmaBlock | In stock | N/A | As is | in stock |
| P-491239661 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611578798 | Toronto Research | In stock | 90 | As is | in stock |
| P-615389043 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.184 |
| logP | 1.6373 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.1718 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
