Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1801162598
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 | 11 USD | 95 | 20 working days | Get Quote |
| 5 mg | 11 USD | 95 | 20 working days | Get Quote |
| 10 mg | 11 USD | 95 | 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.
-
MCULE-4307288433
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1801162598.sdf |
| SMILES | MCULE-1801162598.smiles |
| Standard InChI | MCULE-1801162598.inchi |
| InChIKey | MCULE-1801162598.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623293 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875785956 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597025151 | AEchem | Building blocks | 95 | As is | in stock |
| P-590391018 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610973480 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.2519 kg |
| P-856052710 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606951296 | AmBeed | In stock | N/A | As is | in stock |
| P-489214687 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596964859 | Angene | Building Blocks in stock | 95 | As is | 89.9 g |
| P-585298390 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864139173 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580697409 | BLD pharm | In-stock building blocks | 95 | As is | 16.35 g |
| P-577179341 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-861414175 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862000412 | FluoroChem | General BB | N/A | As is | in stock |
| P-505513648 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502552078 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563382134 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-454387387 | Key Organics | Building Blocks | 95 | As is | 500 mg |
| P-588715234 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-608106250 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-890825659 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852488908 | Matrix Scientific | All | N/A | As is | in stock |
| P-888891284 | PharmaBlock | In stock | N/A | As is | in stock |
| P-23838792 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523187 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892261178 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892342623 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-611580630 | Toronto Research | In stock | 90 | As is | in stock |
| P-3242632 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 11.885 g |
| P-521661 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 11.885 g |
| P-615454762 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-886835948 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890108331 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-892783495 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-889807833 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-868574023 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
| P-888620884 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.188 |
| logP | 1.4799 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.1862 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
