Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6980491809-0
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 | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 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-5116294085-1
- Component type: Main
-
1
MCULE-3169739755-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6980491809-0.sdf |
| SMILES | MCULE-6980491809-0.smiles |
| Standard InChI | MCULE-6980491809-0.inchi |
| InChIKey | MCULE-6980491809-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903141417 | 80 | Main component as a main component | 45 mg |
| P-903159089 | 98 | Main component as a main component | 2 g |
| P-893597482 | 90 | Main component as a main component | 10 mg |
| P-1263866617 | 90 | Main component as a main component | 28.083 g |
| P-674400316 | 75 | Main component as a main component | 6.237 g |
| P-666963066 | 95 | Main component as a main component | 1.2351 kg |
| P-873436882 | 98 | Main component as a main component | 6.25 g |
| P-666942748 | 95 | Main component as a main component | by synthesis |
| P-666951531 | 95 | Main component as a main component | by synthesis |
| P-666940063 | 98 | Main component as a main component | by synthesis |
| P-675657622 | 98 | Main component as a main component | by synthesis |
| P-1275107334 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-852003140 | 98 | Main component as a main component | in stock |
| P-870583903 | 95 | Main component as a main component | in stock |
| P-868597409 | 95 | Main component as a main component | in stock |
| P-868627606 | 98 | Main component as a main component | in stock |
| P-1264368038 | 75 | Main component as a main component | 1.1 g |
| P-901411008 | 75 | Main component as a main component | 5.433 g |
| P-852466297 | 95 | Main component as a main component | by synthesis |
| P-852466298 | 95 | Main component as a main component | by synthesis |
| P-854693748 | 95 | Main component as a main component | in stock |
| P-902991059 | 95 | Main component as a main component | by synthesis |
| P-888171755 | 98 | Main component as a main component | by synthesis |
| P-906819814 | 80 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 556.617 |
| logP | 1.0308 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 273.51 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 132.8976 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 28 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 5 |
| 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 |
