Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8818815441
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 | 271 USD | 95 | 14 working days | Get Quote |
| 5 mg | 417 USD | 98 | 22 working days | Get Quote |
| 10 mg | 1300 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.
-
MCULE-4288346710
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8818815441.sdf |
| SMILES | MCULE-8818815441.smiles |
| Standard InChI | MCULE-8818815441.inchi |
| InChIKey | MCULE-8818815441.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886767885 | 99 | As is | in stock |
| P-901313690 | N/A | As is | in stock |
| P-903392260 | N/A | As is | 5 mg |
| P-891660622 | N/A | As is | by synthesis |
| P-895113224 | N/A | As is | 5 mg |
| P-889797160 | 95 | As is | by synthesis |
| P-905579803 | 98 | As is | by synthesis |
| P-873252080 | 97 | As is | 1 mg |
| P-872798355 | 95 | As is | in stock |
| P-888170347 | 98 | As is | by synthesis |
| P-869130102 | 95 | As is | by synthesis |
| P-888642020 | 95 | As is | unavailable |
| P-901319512 | N/A | As a main component | in stock |
| P-903458232 | N/A | As a main component | 5 mg |
| P-905015639 | N/A | As a main component | by synthesis |
| P-895115373 | N/A | As a main component | 5 mg |
| P-905581574 | 98 | As a main component | by synthesis |
| P-873252749 | 97 | As a main component | 1 mg |
| P-872798356 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 647.254 |
| logP | 7.0591 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 141.36 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 172.6674 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 39 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| 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 |
