Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5865377218
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 30 USD | 97 | 14 working days | Get Quote |
| 10 mg | 47 USD | 97 | 14 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-8713448353
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5865377218.sdf |
| SMILES | MCULE-5865377218.smiles |
| Standard InChI | MCULE-5865377218.inchi |
| InChIKey | MCULE-5865377218.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903139867 | 97 | As is | 7.5 g |
| P-892865234 | 95 | Main component | in stock |
| P-890159923 | 95 | Main component | in stock |
| P-869312656 | 95 | Main component | by resynthesis (? - ? days) |
| P-893607169 | 90 | Main component | 123 mg |
| P-895101395 | 97 | Main component | 50 mg |
| P-1273255486 | 95 | Main component | by resynthesis (? - ? days) |
| P-901334982 | 95 | Main component | in stock |
| P-893228426 | 95 | Main component | in stock |
| P-861345975 | 95 | Main component | by synthesis |
| P-888622565 | 95 | Main component | 1 mg |
| P-1263953715 | 95 | Main component | in stock |
| P-875882908 | 95 | Main component | in stock |
| P-888174311 | 98 | Main component | by synthesis |
| P-498639275 | 95 | Main component | by synthesis |
| P-892293175 | 95 | Main component | unavailable |
| P-869147603 | 95 | Main component | 47 mg |
| P-888649374 | 95 | Main component | 47 mg |
| P-611419459 | 90 | Main component | in stock |
| P-615644650 | 95 | Main component | unavailable |
| P-1271725706 | 95 | Main component | in stock |
| P-872830074 | N/A | Main component as a main component | in stock |
| P-893606345 | 90 | Main component as a main component | 13.088 g |
| P-900246775 | 97 | Main component as a main component | 7.5 g |
| P-1273263585 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-869384280 | 95 | Main component as a main component | in stock |
| P-872868373 | 100 | Main component as a main component | in stock |
| P-871219292 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-888161661 | 95 | Main component as a main component | by synthesis |
| P-887182900 | 95 | Main component as a main component | by synthesis |
| P-870652389 | N/A | Main component as a main component | in stock |
| P-873246548 | 97 | Main component as a main component | 5 mg |
| P-896630166 | 95 | Main component as a main component | by synthesis |
| P-868744083 | 95 | Main component as a main component | in stock |
| P-1264441821 | 95 | Main component as a main component | in stock |
| P-881190580 | 90 | Main component as a main component | 3.437 g |
| P-1271630750 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 408.489 |
| logP | 3.8585 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.8166 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 28 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
