Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4179859821
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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-4558974084
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4179859821.sdf |
| SMILES | MCULE-4179859821.smiles |
| Standard InChI | MCULE-4179859821.inchi |
| InChIKey | MCULE-4179859821.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867628571 | 95 | As is | in stock |
| P-875791798 | 95 | As is | in stock |
| P-903143810 | 95 | As is | 5 g |
| P-904762041 | N/A | As is | by synthesis |
| P-901350726 | 95 | As is | by synthesis |
| P-905576202 | 95 | As is | by synthesis |
| P-616226804 | 95 | As is | in stock |
| P-873427029 | 90 | As is | 5 mg |
| P-674291012 | 90 | As is | in stock |
| P-889039923 | 95 | As is | by synthesis |
| P-580814579 | 90 | As is | by resynthesis (? - ? days) |
| P-855948270 | 95 | As is | 1000 mg |
| P-895703073 | 95 | As is | by synthesis |
| P-893672981 | 95 | As is | by synthesis |
| P-852072705 | 90 | Main component | by synthesis |
| P-889904774 | 90 | Main component | by synthesis |
| P-613855519 | 95 | Main component | by resynthesis (? - ? days) |
| P-907314589 | 95 | Main component | by synthesis |
| P-868818686 | N/A | Main component | by synthesis |
| P-489212064 | 97 | Main component | in stock |
| P-851264494 | 95 | Main component | by synthesis |
| P-502458168 | 95 | Main component | by synthesis |
| P-852396213 | N/A | Main component | by synthesis |
| P-854885428 | 95 | Main component | by synthesis |
| P-23895054 | 90 | Main component | in stock |
| P-502358766 | 90 | Main component | in stock |
| P-855225870 | 90 | Main component | in stock |
| P-1434008 | 90 | Main component | 21 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 260.160 |
| logP | 3.6944 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 43.84 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.5794 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
