Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2191837985
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 | 26 USD | N/A | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 22 working days | Get Quote |
| 10 mg | 43 USD | 98 | 22 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.
-
MCULE-3616986313
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2191837985.sdf |
| SMILES | MCULE-2191837985.smiles |
| Standard InChI | MCULE-2191837985.inchi |
| InChIKey | MCULE-2191837985.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580420987 | 95 | As is | by resynthesis (? - ? days) |
| P-855379096 | 90 | As is | 3 g |
| P-890220830 | 90 | As is | in stock |
| P-895195240 | 95 | As is | by synthesis |
| P-505618295 | 95 | As is | in stock |
| P-869162259 | 95 | As is | unavailable |
| P-888657639 | 95 | As is | unavailable |
| P-867624410 | N/A | As a main component | in stock |
| P-875787647 | N/A | As a main component | in stock |
| P-1275199405 | 98 | As a main component | in stock |
| P-580193735 | 98 | As a main component | in stock |
| P-1264047297 | 95 | As a main component | in stock |
| P-893617779 | 90 | As a main component | 5.377 g |
| P-851493609 | N/A | As a main component | by synthesis |
| P-596965060 | N/A | As a main component | 200 mg |
| P-1273264312 | 95 | As a main component | by resynthesis (? - ? days) |
| P-905460016 | 95 | As a main component | in stock |
| P-868544289 | 98 | As a main component | in stock |
| P-619591780 | 98 | As a main component | by synthesis |
| P-901542941 | 95 | As a main component | by synthesis |
| P-851268355 | 95 | As a main component | by synthesis |
| P-860797739 | 98 | As a main component | in stock |
| P-579479350 | 95 | As a main component | in stock |
| P-580420985 | 95 | As a main component | by resynthesis (? - ? days) |
| P-870660330 | N/A | As a main component | in stock |
| P-868078684 | 95 | As a main component | in stock |
| P-1273109042 | 97 | As a main component | 6 mg |
| P-854721290 | 95 | As a main component | in stock |
| P-474024305 | 95 | As a main component | in stock |
| P-888171698 | 98 | As a main component | by synthesis |
| P-579711194 | 98 | As a main component | in stock |
| P-892297366 | 95 | As a main component | unavailable |
| P-869162258 | 95 | As a main component | 79 mg |
| P-888657638 | 95 | As a main component | 79 mg |
| P-855066232 | 90 | As a main component | in stock |
| P-480558918 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.494 |
| logP | 6.1733 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 77.24 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 126.0796 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 25 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
