Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3051119483
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 | 77 USD | 95 | 7 working days | Get Quote |
| 5 mg | 127 USD | 98 | 22 working days | Get Quote |
| 10 mg | 189 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.
| Name | File |
|---|---|
| SDF | MCULE-3051119483.sdf |
| SMILES | MCULE-3051119483.smiles |
| Standard InChI | MCULE-3051119483.inchi |
| InChIKey | MCULE-3051119483.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867649070 | 95 | As is | in stock |
| P-875816837 | N/A | As is | in stock |
| P-894677902 | 95 | As is | in stock |
| P-903180253 | 95 | As is | 100 mg |
| P-893605538 | 90 | As is | 5.187 g |
| P-851535518 | N/A | As is | by synthesis |
| P-489245367 | 97 | As is | in stock |
| P-895102959 | 98 | As is | 10 mg |
| P-889498367 | 95 | As is | by synthesis |
| P-590984606 | 98 | As is | by synthesis |
| P-871219151 | N/A | As is | by resynthesis (? - ? days) |
| P-851266064 | 95 | As is | by synthesis |
| P-887184844 | 95 | As is | by synthesis |
| P-873248450 | 97 | As is | 10 mg |
| P-854719157 | 95 | As is | in stock |
| P-888173286 | 98 | As is | by synthesis |
| P-579716942 | N/A | As is | in stock |
| P-869116357 | 95 | As is | by synthesis |
| P-892288275 | 95 | As is | unavailable |
| P-888631929 | 95 | As is | 100 mg |
| P-893646363 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 460.449 |
| logP | 6.3016 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 52.83 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 123.434 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
