Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4214642097-0
Structure
Show compound
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-1290049418-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4214642097-0.sdf |
| SMILES | MCULE-4214642097-0.smiles |
| Standard InChI | MCULE-4214642097-0.inchi |
| InChIKey | MCULE-4214642097-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903030623 | 99 | As is | 500 g |
| P-1264047923 | 95 | As is | in stock |
| P-905480184 | 98 | As is | 1000 g |
| P-579788255 | 95 | As is | 64.622 kg |
| P-580718723 | 98 | As is | 3.025 kg |
| P-590751092 | 98 | As is | by synthesis |
| P-851268421 | 95 | As is | by synthesis |
| P-868576654 | 98 | As is | in stock |
| P-579476443 | 95 | As is | in stock |
| P-905341162 | 95 | As is | 17.896 kg |
| P-852460481 | N/A | As is | in stock |
| P-896630294 | 95 | As is | by synthesis |
| P-854692579 | 95 | As is | in stock |
| P-584615060 | 95 | As is | in stock |
| P-608270020 | 98 | As is | in stock |
| P-579711495 | N/A | As is | in stock |
| P-903077232 | 98 | Main component | 16.3729 kg |
| P-1264051948 | 95 | Main component | in stock |
| P-905481421 | 98 | Main component | 1000 g |
| P-579788251 | 95 | Main component | 21.933 kg |
| P-889740090 | 95 | Main component | 95 g |
| P-580721430 | 98 | Main component | 8.75 kg |
| P-868608611 | 98 | Main component | in stock |
| P-579477408 | 95 | Main component | in stock |
| P-905361720 | 98 | Main component | 43.449 kg |
| P-493677458 | N/A | Main component | in stock |
| P-493677459 | N/A | Main component | in stock |
| P-852410516 | N/A | Main component | in stock |
| P-902971391 | 95 | Main component | by synthesis |
| P-901577649 | 95 | Main component | in stock |
| P-854693148 | 95 | Main component | in stock |
| P-617403102 | N/A | Main component | in stock |
| P-590830350 | 98 | Main component as a main component | by synthesis |
| P-591037378 | 98 | Main component as a main component | by synthesis |
| P-852465644 | N/A | Main component as a main component | in stock |
| P-895513980 | 95 | Main component as a main component | by synthesis |
| P-895517878 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 210.661 |
| logP | 1.3548 |
| H-bond acceptors | 6 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 125.22 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 51.5 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
