Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4075316460
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 | 29 USD | 98 | 8 working days | Get Quote |
| 5 mg | 106 USD | 98 | 16 working days | Get Quote |
| 10 mg | 107 USD | 98 | 8 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-4075316460.sdf |
| SMILES | MCULE-4075316460.smiles |
| Standard InChI | MCULE-4075316460.inchi |
| InChIKey | MCULE-4075316460.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867677516 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875854856 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869266149 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903294768 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1.25 g |
| P-610984679 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 9.165 g |
| P-606864116 | AmBeed | In stock | N/A | As is | in stock |
| P-865930974 | Angene | Building Blocks in stock | 98 | As is | 1.25 g |
| P-889567892 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580695466 | BLD pharm | In-stock building blocks | 98 | As is | 435 mg |
| P-893219115 | Biosynth | In Stock | 95 | As is | in stock |
| P-851338772 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861285945 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861364639 | Combi-Blocks | Building Block on demand | N/A | As is | by synthesis |
| P-868657940 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621201 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-868079021 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855926215 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-854712487 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584619314 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608273649 | Molnova | Stock | 98 | As is | in stock |
| P-878644496 | Molnova | Stock | 98 | As is | in stock |
| P-869161200 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892295188 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888656425 | TargetMol | Screening Compounds - stock amount | 95 | As is | 47 mg |
| P-906799622 | Titan Scientific | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-855071818 | Toronto Research | In stock | 90 | As is | in stock |
| P-868531630 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.398 |
| logP | 3.9925 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 101.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 102.1006 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
