Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5593495513-0
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 | 51 USD | 95 | 19 working days | Get Quote |
| 5 mg | 51 USD | 95 | 19 working days | Get Quote |
| 10 mg | 51 USD | 95 | 19 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-5593495513-0.sdf |
| SMILES | MCULE-5593495513-0.smiles |
| Standard InChI | MCULE-5593495513-0.inchi |
| InChIKey | MCULE-5593495513-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886525007 | 95 | As is | in stock |
| P-875701544 | 95 | As is | in stock |
| P-1275192325 | 95 | As is | in stock |
| P-903026361 | 95 | As is | 5 g |
| P-851419654 | N/A | As is | by synthesis |
| P-608426776 | 95 | As is | 8 g |
| P-596489993 | 90 | As is | 56 mg |
| P-596367000 | 90 | As is | 56 mg |
| P-889807807 | 95 | As is | by synthesis |
| P-590734718 | 95 | As is | by synthesis |
| P-577173913 | 90 | As is | by synthesis |
| P-3365489 | 90 | As is | 1 mg |
| P-436477993 | 95 | As is | in stock |
| P-425134755 | 90 | As is | in stock |
| P-851331361 | 95 | As is | by synthesis |
| P-868646832 | 96 | As is | in stock |
| P-580762582 | 90 | As is | by synthesis |
| P-502509525 | 95 | As is | by synthesis |
| P-502797896 | 90 | As is | in stock |
| P-454393500 | 95 | As is | 11.148 g |
| P-18799658 | 95 | As is | 11.148 g |
| P-579642539 | 95 | As is | by resynthesis (? - ? days) |
| P-1267086096 | 95 | As is | 4.05 g |
| P-601072010 | 90 | As is | 248 mg |
| P-14056413 | 95 | As is | 248 mg |
| P-852413700 | 95 | As is | by synthesis |
| P-895261356 | 95 | As is | by synthesis |
| P-19207809 | 90 | As is | in stock |
| P-502359770 | 90 | As is | in stock |
| P-875269103 | 90 | As is | 3 mg |
| P-23298122 | 94 | As is | by resynthesis (? - ? days) |
| P-611386933 | 90 | As is | in stock |
| P-481002474 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.246 |
| logP | 3.1647 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.0324 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
