Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5018094498-0
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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 29 USD | 98 | 22 working days | Get Quote |
| 10 mg | 43 USD | 98 | 22 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-5693673723-0
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5018094498-0.sdf |
| SMILES | MCULE-5018094498-0.smiles |
| Standard InChI | MCULE-5018094498-0.inchi |
| InChIKey | MCULE-5018094498-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616536 | 98 | Main component | in stock |
| P-875777763 | N/A | Main component | in stock |
| P-590399342 | 98 | Main component | in stock |
| P-903120753 | 98 | Main component | 750 mg |
| P-1264047538 | 95 | Main component | in stock |
| P-893511843 | 90 | Main component | 3.935 g |
| P-606838938 | N/A | Main component | in stock |
| P-596963796 | 98 | Main component | 750 mg |
| P-580193794 | 98 | Main component | in stock |
| P-896024408 | 98 | Main component | in stock |
| P-584629456 | 98 | Main component | 1.164 g |
| P-851239703 | 95 | Main component | by synthesis |
| P-861359804 | 95 | Main component | by synthesis |
| P-608497940 | 95 | Main component | in stock |
| P-675216281 | 95 | Main component | in stock |
| P-596562151 | 97 | Main component | 79 mg |
| P-852519555 | N/A | Main component | in stock |
| P-854718432 | 95 | Main component | in stock |
| P-584623959 | 95 | Main component | in stock |
| P-878644089 | 98 | Main component | in stock |
| P-579711238 | N/A | Main component | in stock |
| P-869161555 | 95 | Main component | by synthesis |
| P-892295978 | 95 | Main component | unavailable |
| P-888656889 | 95 | Main component | 154 mg |
| P-667021144 | 95 | Main component | in stock |
| P-867622369 | 98 | Main component as a main component | in stock |
| P-875785087 | N/A | Main component as a main component | in stock |
| P-903133200 | 98 | Main component as a main component | 600 mg |
| P-895168276 | N/A | Main component as a main component | in stock |
| P-489243650 | 97 | Main component as a main component | in stock |
| P-873293947 | 98 | Main component as a main component | 400 mg |
| P-889850428 | 95 | Main component as a main component | by synthesis |
| P-868544511 | 99 | Main component as a main component | in stock |
| P-901917640 | 98 | Main component as a main component | 250 mg |
| P-901462249 | 95 | Main component as a main component | by synthesis |
| P-887325315 | 95 | Main component as a main component | by synthesis |
| P-524166481 | 95 | Main component as a main component | 100 mg |
| P-854709040 | 95 | Main component as a main component | by synthesis |
| P-584623960 | 95 | Main component as a main component | in stock |
| P-893978303 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 533.064 |
| logP | 4.1656 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 154.6 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.7118 |
| Atoms | 63 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 29 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
