Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4909321031
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-4909321031.sdf |
| SMILES | MCULE-4909321031.smiles |
| Standard InChI | MCULE-4909321031.inchi |
| InChIKey | MCULE-4909321031.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852103272 | 95 | As is | by synthesis |
| P-615719310 | 95 | As is | in stock |
| P-851638840 | N/A | As is | by synthesis |
| P-905442868 | 95 | As is | by synthesis |
| P-4233970 | 90 | As is | 50 mg |
| P-454661350 | 90 | As is | in stock |
| P-436475330 | 95 | As is | 2 g |
| P-502492930 | 95 | As is | by synthesis |
| P-504263890 | 90 | As is | by synthesis |
| P-502645487 | 90 | As is | in stock |
| P-488546165 | 90 | As is | in stock |
| P-13272548 | 95 | As is | 300 mg |
| P-18767476 | 95 | As is | 30.876 g |
| P-454411624 | 95 | As is | 30.876 g |
| P-14080595 | 90 | As is | 24 mg |
| P-588250626 | N/A | As is | by synthesis |
| P-12346594 | 90 | As is | 65 mg |
| P-454366501 | 92 | As is | in stock |
| P-885517611 | 95 | As is | by synthesis |
| P-18965732 | 90 | As is | in stock |
| P-33804350 | 90 | As is | in stock |
| P-502407354 | 90 | As is | in stock |
| P-907210302 | 94 | As is | by resynthesis (? - ? days) |
| P-855221047 | 90 | As is | in stock |
| P-3224319 | 90 | As is | 8.85 g |
| P-589428 | 90 | As is | 8.85 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.659 |
| logP | 3.6978 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.8238 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
