Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5811385358
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 | 10 USD | 98 | 16 working days | Get Quote |
| 5 mg | 13 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 USD | 98 | 16 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-3362163091
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5811385358.sdf |
| SMILES | MCULE-5811385358.smiles |
| Standard InChI | MCULE-5811385358.inchi |
| InChIKey | MCULE-5811385358.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875715150 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489230074 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-851283736 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861370550 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479806 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854711831 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474026398 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608273401 | Molnova | Stock | 98 | As is | in stock |
| P-867621989 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875784296 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-613848549 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-610894856 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
| P-851559756 | AmBeed | On request | N/A | Main component | by synthesis |
| P-881102186 | Angene | Building Blocks in stock | 98 | Main component | 10 mg |
| P-580195475 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-864263196 | AstaTech | Backordered BBs | 98 | Main component | by synthesis |
| P-590810114 | BLD pharm | Non-stock building blocks | 99 | Main component | by synthesis |
| P-888169921 | Molnova | On demand | 98 | Main component | by synthesis |
| P-888640632 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869127602 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-886926343 | eNovation Chemicals LLC | Building Block on demand | 98 | Main component | by synthesis |
| P-867555871 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-590362561 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-606913146 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-596943418 | Angene | Building Blocks in stock | 98 | Main component as a main component | 400 mg |
| P-872725136 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-889454560 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-860799350 | Chiralstar | Chiralstar Building Blocks | 98 | Main component as a main component | in stock |
| P-870660112 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-868079331 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-596563377 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 mg |
| P-851356986 | Synthonix | In-stock Building Blocks | 98 | Main component as a main component | 180 mg |
| P-888636540 | TargetMol | Screening Compounds | 95 | Main component as a main component | by synthesis |
| P-869122003 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | in stock |
| P-855066785 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 564.439 |
| logP | 5.588 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 104.14 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 140.5631 |
| Atoms | 67 |
| Rings | 2 |
| Heavy atoms | 36 |
| Hydrogen atoms | 31 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
