Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4949387942
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 | 16 USD | 98 | 20 working days | Get Quote |
| 5 mg | 16 USD | 98 | 20 working days | Get Quote |
| 10 mg | 16 USD | 98 | 20 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-6709349422
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4949387942.sdf |
| SMILES | MCULE-4949387942.smiles |
| Standard InChI | MCULE-4949387942.inchi |
| InChIKey | MCULE-4949387942.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537532 | 98 | As is | in stock |
| P-875692667 | 98 | As is | in stock |
| P-1275179353 | 99 | As is | in stock |
| P-1275199212 | 98 | As is | in stock |
| P-580193394 | 98 | As is | in stock |
| P-1264051369 | 98 | As is | in stock |
| P-893604771 | 90 | As is | 26.917 g |
| P-580245624 | 95 | As is | by synthesis |
| P-900242976 | 98 | As is | 25 g |
| P-1273454491 | 95 | As is | by resynthesis (? - ? days) |
| P-1275482183 | 95 | As is | in stock |
| P-868543923 | 99 | As is | in stock |
| P-851268139 | 95 | As is | by synthesis |
| P-580452516 | 98 | As is | in stock |
| P-868595762 | 97 | As is | in stock |
| P-905316355 | 95 | As is | 3 g |
| P-861986347 | 95 | As is | 25 g |
| P-505495933 | 95 | As is | in stock |
| P-505544399 | 95 | As is | in stock |
| P-524441606 | 97 | As is | 485 mg |
| P-579628763 | 98 | As is | in stock |
| P-580492239 | N/A | As is | by synthesis |
| P-852442603 | 95 | As is | by synthesis |
| P-905144294 | 95 | As is | in stock |
| P-474028144 | 95 | As is | in stock |
| P-608270641 | 98 | As is | in stock |
| P-885543495 | 95 | As is | by synthesis |
| P-579710172 | 98 | As is | in stock |
| P-892286134 | 95 | As is | unavailable |
| P-869107532 | 95 | As is | 133 mg |
| P-888626565 | 95 | As is | 121 mg |
| P-855311560 | 90 | As is | in stock |
| P-867545558 | 98 | Main component | in stock |
| P-875702363 | 98 | Main component | in stock |
| P-597016299 | 98 | Main component | unavailable |
| P-1275165379 | 98 | Main component | in stock |
| P-580193031 | 98 | Main component | in stock |
| P-903026639 | 98 | Main component | 1.25 g |
| P-1264055539 | 99 | Main component | in stock |
| P-489144422 | 97 | Main component | in stock |
| P-596986518 | 98 | Main component | 1000 mg |
| P-1273452279 | 95 | Main component | by resynthesis (? - ? days) |
| P-864198717 | 95 | Main component | in stock |
| P-500415598 | 95 | Main component | by synthesis |
| P-893219586 | 95 | Main component | in stock |
| P-893238947 | 95 | Main component | in stock |
| P-500143887 | 95 | Main component | in stock |
| P-868591714 | 98 | Main component | in stock |
| P-579476505 | 95 | Main component | in stock |
| P-901408845 | 98 | Main component | 1000 mg |
| P-505536721 | 95 | Main component | in stock |
| P-854714039 | 95 | Main component | in stock |
| P-1263155995 | 95 | Main component | by synthesis |
| P-474028143 | 95 | Main component | in stock |
| P-608272105 | 98 | Main component | in stock |
| P-500374188 | 98 | Main component | by synthesis |
| P-885543496 | 95 | Main component | by synthesis |
| P-892286135 | 95 | Main component | unavailable |
| P-869107533 | 95 | Main component | 189 mg |
| P-888626566 | 95 | Main component | 189 mg |
| P-906878272 | 98 | Main component | by synthesis |
| P-611464241 | 90 | Main component | in stock |
| P-1270111410 | 98 | Main component as a main component | in stock |
| P-901262376 | 98 | Main component as a main component | in stock |
| P-613852602 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889523259 | 98 | Main component as a main component | by synthesis |
| P-868564535 | 98 | Main component as a main component | in stock |
| P-505536722 | 95 | Main component as a main component | in stock |
| P-895197752 | 95 | Main component as a main component | by synthesis |
| P-892259493 | 95 | Main component as a main component | unavailable |
| P-892341702 | 95 | Main component as a main component | unavailable |
| P-1271516053 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 449.395 |
| logP | 4.7519 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 76.71 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 132.4417 |
| Atoms | 51 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| 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 |
