Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5962995471
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 78 USD | 98 | 11 working days | Get Quote |
| 10 mg | 78 USD | 98 | 11 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-5962995471.sdf |
| SMILES | MCULE-5962995471.smiles |
| Standard InChI | MCULE-5962995471.inchi |
| InChIKey | MCULE-5962995471.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892864624 | N/A | As is | in stock |
| P-890158963 | N/A | As is | in stock |
| P-869273061 | 95 | As is | by resynthesis (? - ? days) |
| P-893592369 | 90 | As is | 338 mg |
| P-1270385002 | 97 | As is | in stock |
| P-905025631 | N/A | As is | in stock |
| P-895100914 | 97 | As is | 100 mg |
| P-1273257726 | 95 | As is | by resynthesis (? - ? days) |
| P-905469873 | 95 | As is | in stock |
| P-893238475 | 95 | As is | in stock |
| P-881633271 | 98 | As is | in stock |
| P-861339822 | 95 | As is | by synthesis |
| P-873243469 | 97 | As is | 5 mg |
| P-863738059 | 95 | As is | in stock |
| P-896085525 | N/A | As is | 2.049 g |
| P-892307976 | 95 | As is | in stock |
| P-892301525 | 95 | As is | unavailable |
| P-869171690 | 95 | As is | 440 mg |
| P-888663510 | 95 | As is | 376 mg |
| P-22539299 | 90 | As is | 299 mg |
| P-611364252 | 90 | As is | in stock |
| P-1271623034 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.235 |
| logP | 1.988 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 1 |
| PSA | 131.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 78.035 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 10 |
| 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 |
