Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4105113640
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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 16 USD | 98 | 16 working days | Get Quote |
| 10 mg | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-4105113640.sdf |
| SMILES | MCULE-4105113640.smiles |
| Standard InChI | MCULE-4105113640.inchi |
| InChIKey | MCULE-4105113640.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867584290 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875741778 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590361917 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505394545 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610975019 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.045 g |
| P-606875878 | AmBeed | In stock | N/A | As is | in stock |
| P-489242199 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596953254 | Angene | Building Blocks in stock | 98 | As is | 4.186 g |
| P-580193528 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889540246 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860055984 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-868544459 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-580719134 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
| P-579722112 | Chemshuttle | Stock catalog | 95 | As is | 8.417 g |
| P-860798197 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861487506 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479140 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862096507 | FluoroChem | General BB | N/A | As is | in stock |
| P-868078858 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-13313283 | InterBioScreen | Screening Compounds | 92 | As is | 97 mg |
| P-524166691 | Key Organics | Building Blocks | 95 | As is | 10 mg |
| P-31227390 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-852489850 | Matrix Scientific | All | N/A | As is | in stock |
| P-854717111 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474022334 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276376 | Molnova | Stock | 98 | As is | in stock |
| P-500410993 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-424841318 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-617403264 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-454181083 | Specs | Screening Compounds | 90 | As is | 210 mg |
| P-888637451 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869123295 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-25580969 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 577 mg |
| P-480868965 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 396.864 |
| logP | 4.6954 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 54.71 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 113.3442 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| 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 |
