Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6098947593
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 48 USD | 98 | 20 working days | Get Quote |
| 10 mg | 48 USD | 98 | 20 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-6098947593.sdf |
| SMILES | MCULE-6098947593.smiles |
| Standard InChI | MCULE-6098947593.inchi |
| InChIKey | MCULE-6098947593.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867609360 | N/A | As is | in stock |
| P-612938139 | 98 | As is | in stock |
| P-874655503 | 97 | As is | in stock |
| P-851750586 | N/A | As is | by synthesis |
| P-900246753 | 98 | As is | 750 mg |
| P-494347053 | 95 | As is | 850 mg |
| P-896025277 | 95 | As is | in stock |
| P-893228063 | 95 | As is | in stock |
| P-905323808 | N/A | As is | in stock |
| P-454330439 | 95 | As is | 100 mg |
| P-899785509 | 97 | As is | 1000 mg |
| P-454407535 | 95 | As is | 1000 mg |
| P-31266378 | 90 | As is | 500 mg |
| P-901176841 | 90 | As is | 50 mg |
| P-18893966 | 90 | As is | in stock |
| P-896077533 | N/A | As is | 1.976 g |
| P-502407958 | 90 | As is | in stock |
| P-611468600 | 90 | As is | in stock |
| P-1414916 | 90 | As is | 1.025 g |
| P-893722615 | 95 | As is | by synthesis |
| P-886969302 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.322 |
| logP | 3.6487 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.4555 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
