Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6007045944
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
1
MCULE-5591871251
- Component type: Main
-
1
MCULE-8917344355
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6007045944.sdf |
| SMILES | MCULE-6007045944.smiles |
| Standard InChI | MCULE-6007045944.inchi |
| InChIKey | MCULE-6007045944.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860642259 | 95 | Main component | by synthesis |
| P-889947146 | N/A | Main component | by synthesis |
| P-904609506 | 95 | Main component | in stock |
| P-867722072 | N/A | Main component | by synthesis |
| P-862393486 | 97 | Main component | by synthesis |
| P-5494486 | 90 | Main component | 1 mg |
| P-577179900 | 90 | Main component | by synthesis |
| P-3822159 | 90 | Main component | 1 mg |
| P-502601650 | 90 | Main component | in stock |
| P-12630218 | 92 | Main component | 300 mg |
| P-874437727 | 95 | Main component | by synthesis |
| P-13346204 | 92 | Main component | 300 mg |
| P-18836648 | 90 | Main component | in stock |
| P-896172033 | 90 | Main component | 120 mg |
| P-12327934 | 90 | Main component | 68 mg |
| P-23029074 | 94 | Main component | by resynthesis (? - ? days) |
| P-855215847 | 90 | Main component | in stock |
| P-852025566 | 90 | Main component | 134 mg |
| P-893701791 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 467.388 |
| logP | 6.0047 |
| H-bond acceptors | 13 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 184.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 127.017 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 17 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| 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 |
