Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6770770089-0
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 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 25 USD | 98 | 22 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-4904697673-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6770770089-0.sdf |
| SMILES | MCULE-6770770089-0.smiles |
| Standard InChI | MCULE-6770770089-0.inchi |
| InChIKey | MCULE-6770770089-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537496 | 98 | As is | in stock |
| P-875692619 | 98 | As is | in stock |
| P-872722556 | 98 | As is | in stock |
| P-896025233 | 95 | As is | in stock |
| P-893218720 | 95 | As is | in stock |
| P-893221487 | 95 | As is | in stock |
| P-579481626 | 95 | As is | in stock |
| P-870652136 | N/A | As is | in stock |
| P-580496391 | 97 | As is | by synthesis |
| P-852607125 | 97 | As is | by synthesis |
| P-854712727 | 95 | As is | in stock |
| P-896626891 | 95 | As is | by synthesis |
| P-871065405 | 95 | As is | in stock |
| P-888169311 | 98 | As is | by synthesis |
| P-500392342 | 98 | As is | by synthesis |
| P-1263957504 | 90 | As is | in stock |
| P-885539958 | 95 | As is | by synthesis |
| P-854976956 | 90 | As is | in stock |
| P-903225261 | 98 | Main component | 350 mg |
| P-901450852 | 95 | Main component | by synthesis |
| P-870652135 | N/A | Main component | in stock |
| P-579613713 | 98 | Main component | in stock |
| P-1263158319 | 95 | Main component | in stock |
| P-888169310 | 98 | Main component | by synthesis |
| P-901555406 | 95 | Main component as a main component | by synthesis |
| P-854701425 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 330.810 |
| logP | 3.1482 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 53.92 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 96.4282 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
