Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4958215865
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 | 24 USD | N/A | 9 working days | Get Quote |
| 5 mg | 44 USD | 98 | 16 working days | Get Quote |
| 10 mg | 76 USD | 98 | 16 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-4303553405
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4958215865.sdf |
| SMILES | MCULE-4958215865.smiles |
| Standard InChI | MCULE-4958215865.inchi |
| InChIKey | MCULE-4958215865.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860798654 | 98 | As is | in stock |
| P-867643920 | N/A | Main component | in stock |
| P-875810848 | N/A | Main component | in stock |
| P-869367257 | 95 | Main component | in stock |
| P-505402028 | 95 | Main component | in stock |
| P-903170480 | 98 | Main component | 100 mg |
| P-904320275 | 90 | Main component | 4.215 g |
| P-606894818 | N/A | Main component | in stock |
| P-489110420 | 97 | Main component | in stock |
| P-892190996 | 98 | Main component | 75 mg |
| P-580192753 | 98 | Main component | in stock |
| P-889771945 | 95 | Main component | in stock |
| P-892412342 | 98 | Main component | 49 mg |
| P-901475676 | 95 | Main component | by synthesis |
| P-893229145 | 95 | Main component | in stock |
| P-860797957 | 98 | Main component | in stock |
| P-579478938 | 95 | Main component | in stock |
| P-580409340 | 95 | Main component | by resynthesis (? - ? days) |
| P-868078344 | 95 | Main component | in stock |
| P-524167267 | 95 | Main component | 100 mg |
| P-904640764 | 95 | Main component | by synthesis |
| P-854718709 | 95 | Main component | in stock |
| P-474021364 | 95 | Main component | in stock |
| P-608276785 | 98 | Main component | in stock |
| P-611452531 | 90 | Main component | in stock |
| P-893980055 | 95 | Main component | in stock |
| P-852198119 | N/A | Main component as a main component | by synthesis |
| P-875813013 | N/A | Main component as a main component | in stock |
| P-869333745 | 95 | Main component as a main component | in stock |
| P-895198818 | 95 | Main component as a main component | by synthesis |
| P-896070681 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 623.999 |
| logP | 4.5649 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 16 |
| PSA | 184.63 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 157.2522 |
| Atoms | 74 |
| Rings | 4 |
| Heavy atoms | 42 |
| Hydrogen atoms | 32 |
| Heteroatoms | 16 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
