Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8261418649-0
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 | 75 USD | 95 | 14 working days | Get Quote |
| 5 mg | 75 USD | 95 | 14 working days | Get Quote |
| 10 mg | 75 USD | 95 | 14 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.
| Name | File |
|---|---|
| SDF | MCULE-8261418649-0.sdf |
| SMILES | MCULE-8261418649-0.smiles |
| Standard InChI | MCULE-8261418649-0.inchi |
| InChIKey | MCULE-8261418649-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872831442 | 98 | As is | in stock |
| P-875808073 | 98 | As is | in stock |
| P-590392741 | 97 | As is | by resynthesis (? - ? days) |
| P-610955902 | 90 | As is | 13.6 g |
| P-1270393562 | 96 | As is | in stock |
| P-851405509 | N/A | As is | by synthesis |
| P-489240290 | 97 | As is | in stock |
| P-864091160 | 97 | As is | in stock |
| P-590731877 | 96 | As is | by synthesis |
| P-892195396 | 97 | As is | in stock |
| P-851284781 | 95 | As is | by synthesis |
| P-868593859 | 98 | As is | in stock |
| P-862000495 | 96 | As is | 1.05 g |
| P-563439196 | 97 | As is | 250 mg |
| P-852437828 | 95 | As is | by synthesis |
| P-895221554 | 95 | As is | in stock |
| P-888871483 | N/A | As is | in stock |
| P-498663364 | 97 | As is | 3.7 g |
| P-906897039 | 96 | As is | by synthesis |
| P-855311305 | 90 | As is | in stock |
| P-480961909 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.325 |
| logP | 2.3759 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 58.22 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.2677 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 21 |
| 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 |
