Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5976403046
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 | 41 USD | 99 | 19 working days | Get Quote |
| 5 mg | 41 USD | 99 | 19 working days | Get Quote |
| 10 mg | 72 USD | 99 | 19 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-5976403046.sdf |
| SMILES | MCULE-5976403046.smiles |
| Standard InChI | MCULE-5976403046.inchi |
| InChIKey | MCULE-5976403046.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867592408 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-867489391 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-875751154 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505346980 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-903082907 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1000 mg |
| P-893576568 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.35 g |
| P-851931408 | AmBeed | In stock | N/A | As is | in stock |
| P-489168025 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597010165 | Angene | Building Blocks in stock | 98 | As is | 750 mg |
| P-872727569 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-887314346 | AsisChem | In-stock Compounds for biological screening | 95 | As is | in stock |
| P-900154578 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-675651656 | BLD pharm | In-stock building blocks | 98 | As is | 1.25 g |
| P-871220127 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893239516 | Biosynth | In Stock | 95 | As is | in stock |
| P-851279953 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861477869 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862027517 | FluoroChem | General BB | N/A | As is | in stock |
| P-505542922 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-890851659 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890849328 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596571671 | Key Organics | Building Blocks | 97 | As is | 10 mg |
| P-579626771 | LabSeeker, Inc | Stock Collection | 99 | As is | in stock |
| P-896629911 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-872529327 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-878646105 | Molnova | Stock | 98 | As is | in stock |
| P-881188604 | Otava | In-House Stock Library | 90 | As is | 48 mg |
| P-888883092 | PharmaBlock | In stock | N/A | As is | in stock |
| P-596854526 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611488540 | Toronto Research | In stock | 90 | As is | in stock |
| P-893938006 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.417 |
| logP | 3.6466 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 102.55 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 94.3857 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
