Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3040592794
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 | 18 USD | 97 | 14 working days | Get Quote |
| 5 mg | 18 USD | 97 | 14 working days | Get Quote |
| 10 mg | 18 USD | 97 | 14 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.
-
1
MCULE-4697404601
- Component type: Main
-
1
MCULE-1246638159
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3040592794.sdf |
| SMILES | MCULE-3040592794.smiles |
| Standard InChI | MCULE-3040592794.inchi |
| InChIKey | MCULE-3040592794.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903021226 | 97 | Main component | 12 g |
| P-893543154 | 90 | Main component | 46.672 g |
| P-870586478 | 95 | Main component | in stock |
| P-905347214 | 95 | Main component | 2.8 g |
| P-862033627 | 95 | Main component | 15.822 g |
| P-854723462 | 95 | Main component | in stock |
| P-888854649 | N/A | Main component | in stock |
| P-903047528 | 97 | Main component as a main component | 4 g |
| P-893545828 | 90 | Main component as a main component | 81.931 g |
| P-489120233 | 97 | Main component as a main component | in stock |
| P-901650191 | 97 | Main component as a main component | in stock |
| P-905355009 | 97 | Main component as a main component | 14 g |
| P-895264441 | 95 | Main component as a main component | by synthesis |
| P-854723463 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 347.233 |
| logP | 2.5368 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 69.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 94.9935 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
