Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1318309384
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 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-5011971382
- Component type: Main
-
2
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1318309384.sdf |
| SMILES | MCULE-1318309384.smiles |
| Standard InChI | MCULE-1318309384.inchi |
| InChIKey | MCULE-1318309384.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893297704 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-505572991 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-854713079 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896628774 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474020851 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608279653 | Molnova | Stock | 98 | As is | in stock |
| P-579711423 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-893617899 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 700 mg |
| P-895183121 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896627767 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-584614671 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608275127 | Molnova | Stock | 98 | Main component | in stock |
| P-893618353 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 1.0001 kg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 781.765 |
| logP | -4.3761 |
| H-bond acceptors | 26 |
| H-bond donors | 17 |
| Rotatable bonds | 11 |
| PSA | 497.9 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 157.4349 |
| Atoms | 97 |
| Rings | 3 |
| Heavy atoms | 50 |
| Hydrogen atoms | 47 |
| Heteroatoms | 28 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 16 |
| R/S chiral centers | 16 |
| 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 |
