Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6246725035
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-6246725035.sdf |
| SMILES | MCULE-6246725035.smiles |
| Standard InChI | MCULE-6246725035.inchi |
| InChIKey | MCULE-6246725035.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610959323 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 199.025 g |
| P-860052314 | AvaChem Scientific | All products | 99 | As is | by synthesis |
| P-871220077 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-452660753 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851247423 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868648630 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-579478187 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-889113129 | FluoroChem | In Stock BB | N/A | As is | 2 g |
| P-579615760 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-852488440 | Matrix Scientific | All | N/A | As is | in stock |
| P-854693236 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-474026792 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608277417 | Molnova | Stock | 98 | As is | in stock |
| P-579712099 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.403 |
| logP | 2.3476 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 101.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 107.1108 |
| Atoms | 49 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
