Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8833984722-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8833984722-0.sdf |
| SMILES | MCULE-8833984722-0.smiles |
| Standard InChI | MCULE-8833984722-0.inchi |
| InChIKey | MCULE-8833984722-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893137436 | N/A | As is | by synthesis |
| P-613849659 | 95 | As is | in stock |
| P-893606382 | 90 | As is | 1.269 g |
| P-489138979 | 97 | As is | in stock |
| P-872727487 | 98 | As is | in stock |
| P-905461945 | 95 | As is | in stock |
| P-871219110 | N/A | As is | by resynthesis (? - ? days) |
| P-901524441 | 95 | As is | by synthesis |
| P-34859151 | 90 | As is | in stock |
| P-868660796 | 95 | As is | in stock |
| P-580440419 | 95 | As is | by resynthesis (? - ? days) |
| P-888621766 | 95 | As is | 10 mg |
| P-899992394 | 95 | As is | in stock |
| P-871076113 | 95 | As is | in stock |
| P-888173886 | 98 | As is | by synthesis |
| P-454232759 | 90 | As is | unavailable |
| P-869126835 | 95 | As is | by synthesis |
| P-892291100 | 95 | As is | unavailable |
| P-888640100 | 95 | As is | 119 mg |
| P-33163244 | 90 | As is | 110 mg |
| P-854969935 | 90 | As is | in stock |
| P-886917512 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 363.494 |
| logP | 4.1234 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 82.62 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 105.2019 |
| Atoms | 59 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 33 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
