Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1957320879-0
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 | 11 USD | 97 | 22 working days | Get Quote |
| 5 mg | 11 USD | 97 | 22 working days | Get Quote |
| 10 mg | 11 USD | 97 | 22 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-1957320879-0.sdf |
| SMILES | MCULE-1957320879-0.smiles |
| Standard InChI | MCULE-1957320879-0.inchi |
| InChIKey | MCULE-1957320879-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867573351 | 97 | As is | in stock |
| P-875734295 | N/A | As is | in stock |
| P-892791627 | 99 | As is | in stock |
| P-903063759 | 97 | As is | 300 g |
| P-851933161 | N/A | As is | in stock |
| P-868827608 | 97 | As is | 400 g |
| P-666960523 | 97 | As is | 25 g |
| P-901649469 | 97 | As is | in stock |
| P-580407600 | 95 | As is | by resynthesis (? - ? days) |
| P-889380554 | 97 | As is | 300 g |
| P-563382896 | 97 | As is | 10 g |
| P-31267534 | 90 | As is | unavailable |
| P-856044963 | 90 | As is | unavailable |
| P-611665726 | N/A | As is | by synthesis |
| P-854924478 | 95 | As is | by synthesis |
| P-888895791 | N/A | As is | in stock |
| P-18913069 | 90 | As is | in stock |
| P-502367526 | 90 | As is | in stock |
| P-906876121 | 97 | As is | by synthesis |
| P-379288 | 90 | As is | 107 mg |
| P-872757038 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.387 |
| logP | 4.8277 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 89.55 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
