Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4054454942
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 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.
-
1
MCULE-4694574093
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4054454942.sdf |
| SMILES | MCULE-4054454942.smiles |
| Standard InChI | MCULE-4054454942.inchi |
| InChIKey | MCULE-4054454942.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867508785 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-892865172 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-890159793 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590381016 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606900925 | AmBeed | In stock | N/A | Main component | in stock |
| P-489152581 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596494228 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-864088537 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-590936162 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-901414290 | Biosynth | In Stock | 95 | Main component | in stock |
| P-851275627 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-861280500 | Chiralstar | Chiralstar Building Blocks | 97 | Main component | in stock |
| P-868646741 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-580289359 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-862035405 | FluoroChem | General BB | N/A | Main component | in stock |
| P-505494565 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-500157542 | J&W Pharmlab | In-stock compounds | 97 | Main component | in stock |
| P-588709542 | Key Organics | Building Blocks | 97 | Main component | unavailable |
| P-579637180 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-854777919 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-611365612 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893944839 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-867570055 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-875730211 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-881672588 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-505396161 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-903059434 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component as a main component | 200 g |
| P-893528166 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 2.98682 kg |
| P-606934261 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489133159 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489160320 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-596949141 | Angene | Building Blocks in stock | 98 | Main component as a main component | 200 g |
| P-494306994 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-892449790 | Asinex | General screening catalog | 90 | Main component as a main component | 126 mg |
| P-864088538 | AstaTech | In Stock BBs | 97 | Main component as a main component | in stock |
| P-590596451 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 46 g |
| P-851241573 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-861273738 | Chiralstar | Chiralstar Building Blocks | 95 | Main component as a main component | in stock |
| P-868646753 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-580425724 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889109807 | FluoroChem | In Stock BB | N/A | Main component as a main component | 86 g |
| P-505522720 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-500157543 | J&W Pharmlab | In-stock compounds | 97 | Main component as a main component | in stock |
| P-454397610 | Key Organics | Building Blocks | 90 | Main component as a main component | 33.341 g |
| P-18815989 | Key Organics | Screening Compounds and Fragments | 90 | Main component as a main component | 8.821 g |
| P-579624339 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-31257570 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-580515915 | Manchester Organics | Stock compounds | 97 | Main component as a main component | 66 g |
| P-852378967 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-35209798 | Maybridge | Screening Collection | 95 | Main component as a main component | 8.357 kg |
| P-854739248 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-500394268 | Pi Chemicals | Virtual Compounds | 98 | Main component as a main component | by synthesis |
| P-889864791 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-596773646 | Synthonix | In-stock Building Blocks | 95 | Main component as a main component | 767.93 g |
| P-502370553 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-903654491 | TimTec | ActiMol 4 Week - On demand | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-611461711 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-854979132 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855034710 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-615396671 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 379.447 |
| logP | 4.6593 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 101.692 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
