Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4520528396-0
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 | 25 USD | 98 | 20 working days | Get Quote |
| 5 mg | 25 USD | 98 | 20 working days | Get Quote |
| 10 mg | 25 USD | 98 | 20 working days | Get Quote |
- 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-4888900407-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4520528396-0.sdf |
| SMILES | MCULE-4520528396-0.smiles |
| Standard InChI | MCULE-4520528396-0.inchi |
| InChIKey | MCULE-4520528396-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547911 | N/A | Main component | in stock |
| P-875705223 | N/A | Main component | in stock |
| P-613850755 | 95 | Main component | by resynthesis (? - ? days) |
| P-872724865 | 98 | Main component | in stock |
| P-1264048246 | 99 | Main component | in stock |
| P-893518105 | 90 | Main component | 10.5 g |
| P-1270384451 | 99 | Main component | in stock |
| P-851930448 | N/A | Main component | in stock |
| P-596981938 | 98 | Main component | 100 mg |
| P-1273454276 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273457947 | 95 | Main component | by resynthesis (? - ? days) |
| P-889560232 | 95 | Main component | in stock |
| P-901428817 | 95 | Main component | by synthesis |
| P-851268371 | 95 | Main component | by synthesis |
| P-861379101 | 95 | Main component | by synthesis |
| P-862033367 | 99 | Main component | 200 mg |
| P-675216083 | 95 | Main component | in stock |
| P-1273109238 | 97 | Main component | 100 mg |
| P-895181010 | 95 | Main component | in stock |
| P-871077090 | 95 | Main component | in stock |
| P-608278510 | 98 | Main component | in stock |
| P-579711311 | 98 | Main component | in stock |
| P-873281253 | N/A | Main component | in stock |
| P-892297519 | 95 | Main component | unavailable |
| P-869162406 | 95 | Main component | 151 mg |
| P-888657770 | 95 | Main component | 151 mg |
| P-502384178 | 90 | Main component | in stock |
| P-906798454 | 95 | Main component | by synthesis |
| P-611474853 | 90 | Main component | in stock |
| P-1271675944 | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 299.196 |
| logP | 2.8399 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 87.773 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
