Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5953713121-0
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 | 16 USD | 99 | 22 working days | Get Quote |
| 5 mg | 16 USD | 99 | 22 working days | Get Quote |
| 10 mg | 16 USD | 99 | 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-5953713121-0.sdf |
| SMILES | MCULE-5953713121-0.smiles |
| Standard InChI | MCULE-5953713121-0.inchi |
| InChIKey | MCULE-5953713121-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599771 | 99 | As is | in stock |
| P-875757631 | 99 | As is | in stock |
| P-869360166 | 95 | As is | by resynthesis (? - ? days) |
| P-903093374 | 99 | As is | 2 g |
| P-1264051969 | 99 | As is | in stock |
| P-1270378552 | 97 | As is | in stock |
| P-851953160 | N/A | As is | in stock |
| P-868829081 | 97 | As is | 5 g |
| P-1273451813 | 95 | As is | by resynthesis (? - ? days) |
| P-864205457 | 95 | As is | in stock |
| P-617431941 | 97 | As is | 7.4 g |
| P-893245729 | 95 | As is | in stock |
| P-870583715 | 95 | As is | in stock |
| P-901409879 | 99 | As is | 2 g |
| P-1273110130 | 97 | As is | 100 mg |
| P-863724007 | 95 | As is | in stock |
| P-1274584017 | 95 | As is | by synthesis |
| P-584623124 | 95 | As is | in stock |
| P-888171115 | 98 | As is | by synthesis |
| P-888885443 | N/A | As is | in stock |
| P-889864130 | 95 | As is | by synthesis |
| P-904093983 | 97 | As is | 7.7 g |
| P-892291619 | 95 | As is | unavailable |
| P-869128183 | 95 | As is | 93 mg |
| P-888640995 | 95 | As is | 93 mg |
| P-611441599 | 90 | As is | in stock |
| P-611507299 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 183.161 |
| logP | -0.24 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 63.68 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 46.478 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| 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 |
