Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9140155248
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4233228077
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9140155248.sdf |
| SMILES | MCULE-9140155248.smiles |
| Standard InChI | MCULE-9140155248.inchi |
| InChIKey | MCULE-9140155248.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505497130 | 95 | As is | in stock |
| P-867296525 | N/A | Main component | by synthesis |
| P-901190466 | N/A | Main component | by synthesis |
| P-904502500 | 95 | Main component | in stock |
| P-851450840 | N/A | Main component | by synthesis |
| P-489107330 | 97 | Main component | in stock |
| P-901474493 | 95 | Main component | by synthesis |
| P-580759859 | 90 | Main component | in stock |
| P-608498064 | 95 | Main component | in stock |
| P-870652844 | 98 | Main component | in stock |
| P-596562644 | 97 | Main component | 94 mg |
| P-888169043 | 98 | Main component | by synthesis |
| P-885536348 | 95 | Main component | by synthesis |
| P-906755877 | 98 | Main component | by synthesis |
| P-893184524 | N/A | Main component as a main component | by synthesis |
| P-875772674 | N/A | Main component as a main component | in stock |
| P-904613615 | 95 | Main component as a main component | in stock |
| P-903113420 | 98 | Main component as a main component | 800 mg |
| P-596962950 | 99 | Main component as a main component | 250 mg |
| P-617648481 | 90 | Main component as a main component | in stock |
| P-584605045 | 95 | Main component as a main component | 5 g |
| P-617326147 | 90 | Main component as a main component | in stock |
| P-861524707 | 98 | Main component as a main component | by synthesis |
| P-870652845 | N/A | Main component as a main component | in stock |
| P-890851944 | 90 | Main component as a main component | in stock |
| P-596564871 | 97 | Main component as a main component | 10 mg |
| P-454413036 | 95 | Main component as a main component | 10 g |
| P-895290691 | 95 | Main component as a main component | by synthesis |
| P-474026002 | 95 | Main component as a main component | in stock |
| P-888169042 | 98 | Main component as a main component | by synthesis |
| P-881189314 | 90 | Main component as a main component | 50 mg |
| P-13793333 | 92 | Main component as a main component | 300 mg |
| P-885536347 | 95 | Main component as a main component | by synthesis |
| P-888603416 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-906791211 | 99 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 247.789 |
| logP | 3.3563 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 79.18 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.1381 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
