Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4791119312
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 | 50 USD | 95 | 22 working days | Get Quote |
| 5 mg | 50 USD | 95 | 22 working days | Get Quote |
| 10 mg | 75 USD | 98 | 13 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.
-
MCULE-8685760404
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4791119312.sdf |
| SMILES | MCULE-4791119312.smiles |
| Standard InChI | MCULE-4791119312.inchi |
| InChIKey | MCULE-4791119312.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869250938 | 95 | As is | by resynthesis (? - ? days) |
| P-901450442 | 95 | As is | by synthesis |
| P-580433287 | 95 | As is | by resynthesis (? - ? days) |
| P-899989669 | 95 | As is | by synthesis |
| P-855360466 | 90 | As is | in stock |
| P-867616860 | 95 | As a main component | in stock |
| P-875778256 | 95 | As a main component | in stock |
| P-869299927 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273164349 | 99 | As a main component | 50 mg |
| P-1274435473 | 90 | As a main component | 50 mg |
| P-895097420 | 99 | As a main component | 50 mg |
| P-896026325 | 95 | As a main component | in stock |
| P-860055790 | 98 | As a main component | by synthesis |
| P-868543542 | 99 | As a main component | in stock |
| P-580283937 | N/A | As a main component | by resynthesis (? - ? days) |
| P-1272494235 | 95 | As a main component | in stock |
| P-500388061 | 98 | As a main component | by synthesis |
| P-869158609 | 95 | As a main component | unavailable |
| P-888654372 | 95 | As a main component | unavailable |
| P-611526372 | 90 | As a main component | in stock |
| P-611497974 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 1.6141 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 66.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.6274 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
