Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7836653656-0
Structure
Show compound
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 | 33 USD | 95 | 14 working days | Get Quote |
| 5 mg | 69 USD | 98 | 16 working days | Get Quote |
| 10 mg | 108 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.
-
1
MCULE-2776080511-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7836653656-0.sdf |
| SMILES | MCULE-7836653656-0.smiles |
| Standard InChI | MCULE-7836653656-0.inchi |
| InChIKey | MCULE-7836653656-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-887198514 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-489234041 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-590756286 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-851268656 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-854707746 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-608272641 | Molnova | Stock | 98 | Main component | in stock |
| P-589631490 | Selleckchem | Epigenetics | N/A | Main component | in stock |
| P-610995078 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 5.7 g |
| P-860056488 | AvaChem Scientific | All products | 95 | Main component as a main component | by synthesis |
| P-613859879 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 299 mg |
| P-861382279 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-579479585 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-579480177 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-854711571 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-474025801 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 572.442 |
| logP | 6.3446 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 86.89 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 138.7954 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 27 |
| Heteroatoms | 13 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
