Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7545961532
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 | 67 USD | 95 | 20 working days | Get Quote |
| 5 mg | 143 USD | 98 | 11 working days | Get Quote |
| 10 mg | 286 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.
-
1
MCULE-2919769319
- Component type: Main
-
2
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7545961532.sdf |
| SMILES | MCULE-7545961532.smiles |
| Standard InChI | MCULE-7545961532.inchi |
| InChIKey | MCULE-7545961532.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-894007947 | 95 | As is | in stock |
| P-892864918 | 98 | Main component | in stock |
| P-890159345 | N/A | Main component | in stock |
| P-903159263 | 95 | Main component | 30 mg |
| P-1264058400 | 95 | Main component | in stock |
| P-1264054508 | 95 | Main component | in stock |
| P-893523573 | 90 | Main component | 333 mg |
| P-1264206399 | N/A | Main component | by synthesis |
| P-489220939 | 97 | Main component | in stock |
| P-888819483 | 95 | Main component | 4 mg |
| P-1264195946 | 95 | Main component | by synthesis |
| P-901424703 | 95 | Main component | by synthesis |
| P-452650058 | 98 | Main component | in stock |
| P-873246934 | 97 | Main component | 5 mg |
| P-873246935 | 97 | Main component | 1 mg |
| P-878204010 | 95 | Main component | 5 mg |
| P-579615128 | 95 | Main component | unavailable |
| P-874452729 | 95 | Main component | in stock |
| P-894002536 | 95 | Main component | in stock |
| P-886912308 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 538.540 |
| logP | 3.3892 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 170.44 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 134.8856 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 34 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
