Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8819330672
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 34 USD | 95 | 14 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-8819330672.sdf |
| SMILES | MCULE-8819330672.smiles |
| Standard InChI | MCULE-8819330672.inchi |
| InChIKey | MCULE-8819330672.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867691974 | 99 | As is | in stock |
| P-875871541 | N/A | As is | in stock |
| P-874616247 | N/A | As is | in stock |
| P-903345597 | N/A | As is | 50 mg |
| P-893539729 | 90 | As is | 19.627 g |
| P-901179588 | N/A | As is | in stock |
| P-895108295 | N/A | As is | 50 mg |
| P-889521175 | 95 | As is | by synthesis |
| P-901918735 | 98 | As is | 249 mg |
| P-449585906 | 90 | As is | 76 mg |
| P-578412490 | 90 | As is | in stock |
| P-887189196 | 95 | As is | by synthesis |
| P-12990083 | 92 | As is | 300 mg |
| P-873243928 | 97 | As is | 10 mg |
| P-14096037 | 90 | As is | 11 mg |
| P-854713764 | 95 | As is | in stock |
| P-34047733 | 90 | As is | 50 mg |
| P-13367919 | 92 | As is | 300 mg |
| P-519779996 | 90 | As is | in stock |
| P-907054962 | 94 | As is | by resynthesis (? - ? days) |
| P-24792665 | 90 | As is | 116 mg |
| P-893669236 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.419 |
| logP | 3.7336 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 46.84 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 100.848 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
