Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4121190274
Compound
Show structures
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-3522023799
- Component type: Main
-
1
MCULE-2809467532
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4121190274.sdf |
| SMILES | MCULE-4121190274.smiles |
| Standard InChI | MCULE-4121190274.inchi |
| InChIKey | MCULE-4121190274.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852428982 | N/A | As is | in stock |
| P-895866112 | 95 | As is | by synthesis |
| P-867569233 | 98 | Main component | in stock |
| P-875729017 | N/A | Main component | in stock |
| P-597015117 | 95 | Main component | in stock |
| P-595218626 | 95 | Main component | in stock |
| P-903057794 | 98 | Main component | 10 g |
| P-893515354 | 90 | Main component | 245.434 g |
| P-856055186 | 95 | Main component | by synthesis |
| P-617067936 | N/A | Main component | in stock |
| P-606940271 | N/A | Main component | in stock |
| P-596929973 | 98 | Main component | 100 g |
| P-589656590 | 95 | Main component | by resynthesis (? - ? days) |
| P-864104927 | 95 | Main component | in stock |
| P-674290880 | 90 | Main component | in stock |
| P-620804026 | 95 | Main component | 5 g |
| P-851251119 | 95 | Main component | by synthesis |
| P-861280338 | 97 | Main component | in stock |
| P-868591429 | 97 | Main component | in stock |
| P-580335649 | 95 | Main component | by resynthesis (? - ? days) |
| P-861985110 | 98 | Main component | 623.5 g |
| P-905336940 | 98 | Main component | 623.5 g |
| P-488553909 | 90 | Main component | in stock |
| P-24452275 | 95 | Main component | 300 mg |
| P-563386529 | 95 | Main component | 1000 mg |
| P-580493995 | N/A | Main component | by synthesis |
| P-852441150 | N/A | Main component | in stock |
| P-854725299 | 95 | Main component | in stock |
| P-454374451 | 92 | Main component | in stock |
| P-23784335 | 92 | Main component | 300 mg |
| P-885530028 | 95 | Main component | by synthesis |
| P-520102971 | 90 | Main component | in stock |
| P-904085771 | 97 | Main component | 65.519 g |
| P-611361549 | 90 | Main component | in stock |
| P-24783337 | 90 | Main component | 1.021 g |
| P-464686699 | 90 | Main component | 1.021 g |
| P-615451131 | 95 | Main component | in stock |
| P-666934683 | 95 | Main component as a main component | in stock |
| P-889035873 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 237.055 |
| logP | 0.4919 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 90.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.5717 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
