Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6075959279-0
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 | 21 USD | 98 | 19 working days | Get Quote |
| 5 mg | 44 USD | 98 | 19 working days | Get Quote |
| 10 mg | 63 USD | 98 | 19 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-2476717700-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6075959279-0.sdf |
| SMILES | MCULE-6075959279-0.smiles |
| Standard InChI | MCULE-6075959279-0.inchi |
| InChIKey | MCULE-6075959279-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869289569 | 98 | As is | in stock |
| P-893237374 | 95 | As is | in stock |
| P-861286891 | 98 | As is | in stock |
| P-868658714 | 95 | As is | in stock |
| P-855925374 | 97 | As is | 250 mg |
| P-888171619 | 98 | As is | by synthesis |
| P-885534494 | 95 | As is | by synthesis |
| P-906799835 | 98 | As is | by synthesis |
| P-893237019 | 95 | Main component | in stock |
| P-563428456 | 95 | Main component | 81 mg |
| P-895194244 | 95 | Main component | by synthesis |
| P-896072705 | 95 | Main component | in stock |
| P-608277725 | 98 | Main component | in stock |
| P-611475817 | 90 | Main component | in stock |
| P-868495281 | 95 | Main component | in stock |
| P-873250960 | 90 | Main component as a main component | 10 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 526.519 |
| logP | 7.9826 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 73.47 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 148.9452 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 29 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
