Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6816207885-0
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 | 32 USD | 98 | 14 working days | Get Quote |
| 5 mg | 69 USD | 98 | 22 working days | Get Quote |
| 10 mg | 75 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.
| Name | File |
|---|---|
| SDF | MCULE-6816207885-0.sdf |
| SMILES | MCULE-6816207885-0.smiles |
| Standard InChI | MCULE-6816207885-0.inchi |
| InChIKey | MCULE-6816207885-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679486 | 98 | As is | in stock |
| P-875858475 | 98 | As is | in stock |
| P-903311912 | 98 | As is | 750 mg |
| P-893605494 | 90 | As is | 3.033 g |
| P-1270302144 | 98 | As is | in stock |
| P-893291459 | N/A | As is | in stock |
| P-868835341 | 98 | As is | 250 mg |
| P-1273260568 | 95 | As is | by resynthesis (? - ? days) |
| P-896027975 | 95 | As is | in stock |
| P-893279891 | 98 | As is | 1.014 g |
| P-871216495 | 95 | As is | by synthesis |
| P-900266105 | 95 | As is | in stock |
| P-873246266 | 97 | As is | 1 mg |
| P-873246267 | 97 | As is | 1 mg |
| P-873246268 | 97 | As is | 1 mg |
| P-1275041431 | 95 | As is | in stock |
| P-854719696 | 95 | As is | in stock |
| P-871075339 | 95 | As is | in stock |
| P-888173241 | 98 | As is | by synthesis |
| P-1271667368 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 400.472 |
| logP | 4.60608 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 107.95 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 114.8489 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 24 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
