Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6062264760
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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 13 USD | 98 | 14 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-4998676494
- Component type: Main
-
1
MCULE-1568229930
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6062264760.sdf |
| SMILES | MCULE-6062264760.smiles |
| Standard InChI | MCULE-6062264760.inchi |
| InChIKey | MCULE-6062264760.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903139773 | 98 | As is | 40 g |
| P-610963090 | 90 | As is | 69.405 g |
| P-871218879 | N/A | As is | by resynthesis (? - ? days) |
| P-893619061 | 97 | As is | in stock |
| P-474027813 | 95 | As is | in stock |
| P-608275129 | 98 | As is | in stock |
| P-610959832 | 90 | Main component | 208.718 g |
| P-674240997 | 90 | Main component | 5.239 g |
| P-905258940 | 95 | Main component | by synthesis |
| P-505530152 | 95 | Main component | in stock |
| P-488556311 | 92 | Main component | in stock |
| P-619811929 | 96 | Main component | in stock |
| P-892792091 | 95 | Main component as a main component | in stock |
| P-864263377 | 98 | Main component as a main component | by synthesis |
| P-868543849 | 99 | Main component as a main component | in stock |
| P-860797866 | 98 | Main component as a main component | in stock |
| P-887182734 | 95 | Main component as a main component | by synthesis |
| P-887323970 | 95 | Main component as a main component | by synthesis |
| P-505530314 | 95 | Main component as a main component | in stock |
| P-619811930 | 96 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 361.349 |
| logP | 0.0101 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 152.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 93.5889 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
