Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2597411789-0
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-6254342601-0
- Component type: Main
-
1
MCULE-5133077095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2597411789-0.sdf |
| SMILES | MCULE-2597411789-0.smiles |
| Standard InChI | MCULE-2597411789-0.inchi |
| InChIKey | MCULE-2597411789-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585444 | 98 | As is | in stock |
| P-875743763 | N/A | As is | in stock |
| P-869188904 | 95 | As is | in stock |
| P-505401242 | 98 | As is | in stock |
| P-903074268 | 98 | As is | 200 g |
| P-893575438 | 90 | As is | 398.369 g |
| P-606841097 | N/A | As is | in stock |
| P-489120387 | 97 | As is | in stock |
| P-489205458 | 97 | As is | in stock |
| P-596954053 | 98 | As is | 500 g |
| P-895936989 | 95 | As is | by resynthesis (? - ? days) |
| P-864192060 | 95 | As is | in stock |
| P-868615889 | 98 | As is | in stock |
| P-505628184 | 95 | As is | in stock |
| P-524161589 | 98 | As is | 25 g |
| P-608101352 | 95 | As is | 10 g |
| P-860796704 | N/A | As is | 26 g |
| P-863695508 | 95 | As is | in stock |
| P-889866021 | 95 | As is | by synthesis |
| P-596750538 | 98 | As is | 62.7 g |
| P-906779662 | 98 | As is | by synthesis |
| P-886918527 | 95 | As is | by synthesis |
| P-893139798 | N/A | Main component as a main component | by synthesis |
| P-872838527 | 97 | Main component as a main component | in stock |
| P-867526173 | N/A | Main component as a main component | by synthesis |
| P-875743762 | N/A | Main component as a main component | in stock |
| P-875865646 | N/A | Main component as a main component | in stock |
| P-874600738 | 98 | Main component as a main component | in stock |
| P-869345742 | 95 | Main component as a main component | in stock |
| P-903330855 | 97 | Main component as a main component | 1000 g |
| P-903074267 | 98 | Main component as a main component | 100 g |
| P-875905540 | N/A | Main component as a main component | in stock |
| P-871256226 | N/A | Main component as a main component | in stock |
| P-891648221 | N/A | Main component as a main component | by synthesis |
| P-489114682 | 97 | Main component as a main component | in stock |
| P-489241496 | 97 | Main component as a main component | in stock |
| P-596983979 | 98 | Main component as a main component | 500 g |
| P-888827625 | 99 | Main component as a main component | 1000 g |
| P-895928944 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-895935381 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864175915 | 98 | Main component as a main component | in stock |
| P-889789987 | 95 | Main component as a main component | in stock |
| P-901452990 | 95 | Main component as a main component | by synthesis |
| P-887324978 | 95 | Main component as a main component | by synthesis |
| P-901649081 | 99 | Main component as a main component | in stock |
| P-868607836 | 98 | Main component as a main component | in stock |
| P-905435411 | 97 | Main component as a main component | 1.94033 kg |
| P-899785247 | 97 | Main component as a main component | 1000 mg |
| P-901006948 | 95 | Main component as a main component | in stock |
| P-889883701 | 95 | Main component as a main component | by synthesis |
| P-906899400 | 99 | Main component as a main component | in stock |
| P-906767833 | 99 | Main component as a main component | by synthesis |
| P-906753527 | 99 | Main component as a main component | by synthesis |
| P-611408927 | 90 | Main component as a main component | in stock |
| P-886922598 | 95 | Main component as a main component | by synthesis |
| P-615452510 | 95 | Main component as a main component | in stock |
| P-886909884 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 542.395 |
| logP | 7.4239 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 65.58 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 118.6344 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
