Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5125502898
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 | 33 USD | 98 | 22 working days | Get Quote |
| 5 mg | 33 USD | 98 | 22 working days | Get Quote |
| 10 mg | 47 USD | 98 | 22 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-5125502898.sdf |
| SMILES | MCULE-5125502898.smiles |
| Standard InChI | MCULE-5125502898.inchi |
| InChIKey | MCULE-5125502898.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637185 | 95 | As is | in stock |
| P-875802342 | N/A | As is | in stock |
| P-869203389 | 95 | As is | in stock |
| P-903157798 | 96 | As is | 5 mg |
| P-893561860 | 90 | As is | 711 mg |
| P-851714591 | N/A | As is | by synthesis |
| P-888819451 | 96 | As is | 5 mg |
| P-889455826 | 95 | As is | by synthesis |
| P-590921574 | 95 | As is | by synthesis |
| P-893230598 | 95 | As is | in stock |
| P-452657637 | 98 | As is | in stock |
| P-887187807 | 95 | As is | by synthesis |
| P-873242522 | 97 | As is | 100 mg |
| P-905147304 | 95 | As is | by synthesis |
| P-872529525 | 95 | As is | in stock |
| P-871069334 | 95 | As is | in stock |
| P-888173779 | 98 | As is | by synthesis |
| P-873284533 | N/A | As is | in stock |
| P-892227326 | 95 | As is | by synthesis |
| P-869175945 | 95 | As is | in stock |
| P-892290552 | 95 | As is | unavailable |
| P-892320923 | 95 | As is | 151 mg |
| P-886952609 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.199 |
| logP | 2.063 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 90.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.059 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
