Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4518626593-1
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 | 19 USD | N/A | 9 working days | Get Quote |
| 5 mg | 21 USD | 98 | 15 working days | Get Quote |
| 10 mg | 35 USD | 98 | 15 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-4518626593-1.sdf |
| SMILES | MCULE-4518626593-1.smiles |
| Standard InChI | MCULE-4518626593-1.inchi |
| InChIKey | MCULE-4518626593-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-613854144 | 98 | As is | by resynthesis (? - ? days) |
| P-580193558 | 98 | As is | in stock |
| P-1264047055 | 99 | As is | in stock |
| P-610959962 | 90 | As is | 6.115 g |
| P-1270295177 | 98 | As is | in stock |
| P-606930745 | N/A | As is | in stock |
| P-596929615 | 98 | As is | 1000 mg |
| P-1273451382 | 95 | As is | by resynthesis (? - ? days) |
| P-864125582 | 95 | As is | in stock |
| P-868544314 | 99 | As is | in stock |
| P-580711516 | 98 | As is | 1.778 g |
| P-851279888 | 95 | As is | by synthesis |
| P-860797639 | 98 | As is | in stock |
| P-861491888 | 95 | As is | by synthesis |
| P-901409757 | 98 | As is | 3 g |
| P-675215491 | 95 | As is | in stock |
| P-1273109421 | 97 | As is | 81 mg |
| P-1272587652 | 95 | As is | 100 mg |
| P-852464508 | 95 | As is | by synthesis |
| P-854712161 | 95 | As is | in stock |
| P-1272503175 | 95 | As is | by synthesis |
| P-474023916 | 95 | As is | in stock |
| P-608275403 | 98 | As is | in stock |
| P-500411005 | 95 | As is | by synthesis |
| P-579711216 | 98 | As is | in stock |
| P-855011451 | 90 | As is | in stock |
| P-855011452 | 90 | As is | in stock |
| P-480559296 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 425.481 |
| logP | 4.5004 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 92.79 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 121.6809 |
| Atoms | 55 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
