Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6054171594
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 | 39 USD | N/A | 14 working days | Get Quote |
| 5 mg | 77 USD | 98 | 22 working days | Get Quote |
| 10 mg | 120 USD | 98 | 22 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-3724741846
- Component type: Main
-
3
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6054171594.sdf |
| SMILES | MCULE-6054171594.smiles |
| Standard InChI | MCULE-6054171594.inchi |
| InChIKey | MCULE-6054171594.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867616560 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-875777796 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-606867755 | AmBeed | In stock | N/A | Main component | in stock |
| P-889777711 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-890245891 | BLD pharm | In-stock building blocks | 98 | Main component | 250 mg |
| P-851279986 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-579479787 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-868078565 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-873250023 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
| P-854718313 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474027709 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-888169331 | Molnova | On demand | 98 | Main component | by synthesis |
| P-888636032 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869121378 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-886926330 | eNovation Chemicals LLC | Building Block on demand | 98 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 857.761 |
| logP | 4.1571 |
| H-bond acceptors | 25 |
| H-bond donors | 4 |
| Rotatable bonds | 14 |
| PSA | 190.36 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 200.7151 |
| Atoms | 106 |
| Rings | 4 |
| Heavy atoms | 58 |
| Hydrogen atoms | 48 |
| Heteroatoms | 25 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 9 |
| 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 |
