Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2471939622
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 | 48 USD | 90 | 22 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 88 USD | 90 | 22 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-2471939622.sdf |
| SMILES | MCULE-2471939622.smiles |
| Standard InChI | MCULE-2471939622.inchi |
| InChIKey | MCULE-2471939622.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270158826 | 97 | As is | in stock |
| P-1268837308 | 97 | As is | in stock |
| P-1264751845 | 97 | As is | 4 g |
| P-904326014 | 90 | As is | 139 g |
| P-1272022622 | 95 | As is | 2 g |
| P-1274822526 | 95 | As is | by resynthesis (? - ? days) |
| P-1268692771 | 95 | As is | in stock |
| P-427958819 | 90 | As is | 10 mg |
| P-590559859 | 90 | As is | 17 mg |
| P-20001828 | 90 | As is | in stock |
| P-1274905719 | 95 | As is | by synthesis |
| P-34566797 | 90 | As is | by synthesis |
| P-503954606 | 90 | As is | by synthesis |
| P-856025917 | 90 | As is | 1000 mg |
| P-14231781 | 90 | As is | 1 mg |
| P-1264386657 | 95 | As is | by synthesis |
| P-621084821 | 90 | As is | by synthesis |
| P-34139677 | 90 | As is | in stock |
| P-12918465 | 90 | As is | 114 mg |
| P-22646894 | 90 | As is | in stock |
| P-888463878 | 94 | As is | by resynthesis (? - ? days) |
| P-1381330 | 90 | As is | 1.102 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 325.771 |
| logP | 4.5585 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 109.67 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 81.1678 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
