Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3536199335-0
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 | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 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-1853294800-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3536199335-0.sdf |
| SMILES | MCULE-3536199335-0.smiles |
| Standard InChI | MCULE-3536199335-0.inchi |
| InChIKey | MCULE-3536199335-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867677491 | 95 | As is | in stock |
| P-875854827 | 95 | As is | in stock |
| P-874650756 | 95 | As is | by resynthesis (? - ? days) |
| P-893510588 | 90 | As is | 5 g |
| P-1270285261 | 95 | As is | in stock |
| P-851933459 | N/A | As is | in stock |
| P-1268633323 | 95 | As is | by synthesis |
| P-861379933 | 95 | As is | by synthesis |
| P-855962121 | 95 | As is | 100 mg |
| P-854806003 | 95 | As is | by synthesis |
| P-889877491 | 95 | As is | by synthesis |
| P-906803862 | 95 | As is | by synthesis |
| P-1271711138 | 95 | As is | in stock |
| P-867634490 | 98 | Main component | in stock |
| P-875799532 | 98 | Main component | in stock |
| P-1275169546 | 99 | Main component | in stock |
| P-580193016 | 98 | Main component | in stock |
| P-903153725 | 98 | Main component | 300 g |
| P-1264051366 | 99 | Main component | in stock |
| P-610959467 | 90 | Main component | 243.511 g |
| P-1270382011 | 98 | Main component | in stock |
| P-606900916 | N/A | Main component | in stock |
| P-489153542 | 97 | Main component | in stock |
| P-596967320 | 98 | Main component | 94 g |
| P-1273266648 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273283264 | 95 | Main component | by resynthesis (? - ? days) |
| P-864131493 | 95 | Main component | in stock |
| P-900155231 | 98 | Main component | in stock |
| P-580709747 | 98 | Main component | 37 g |
| P-901523426 | 95 | Main component | by synthesis |
| P-893228083 | 95 | Main component | in stock |
| P-851262493 | 95 | Main component | by synthesis |
| P-868607354 | 97 | Main component | in stock |
| P-579480402 | 95 | Main component | in stock |
| P-505545746 | 95 | Main component | in stock |
| P-524440005 | 97 | Main component | 2.534 g |
| P-1272588447 | 95 | Main component | 200 g |
| P-852466505 | 95 | Main component | by synthesis |
| P-905144715 | 95 | Main component | in stock |
| P-863730784 | 95 | Main component | in stock |
| P-584627276 | 95 | Main component | in stock |
| P-608275625 | 98 | Main component | in stock |
| P-1263958100 | 90 | Main component | in stock |
| P-617402970 | 98 | Main component | in stock |
| P-590489745 | 90 | Main component | 247 mg |
| P-869130033 | 95 | Main component | 923 mg |
| P-892291871 | 95 | Main component | 896 mg |
| P-888641991 | 95 | Main component | 896 mg |
| P-611435572 | 90 | Main component | in stock |
| P-611431578 | 90 | Main component | in stock |
| P-867666887 | 99 | Main component as a main component | in stock |
| P-875834416 | 99 | Main component as a main component | in stock |
| P-1275181194 | 99 | Main component as a main component | in stock |
| P-1275163829 | 98 | Main component as a main component | in stock |
| P-1275182376 | 95 | Main component as a main component | in stock |
| P-580192629 | 98 | Main component as a main component | in stock |
| P-903211117 | 95 | Main component as a main component | 100 g |
| P-1264047204 | 99 | Main component as a main component | in stock |
| P-610983881 | 90 | Main component as a main component | 609.999 g |
| P-1270327274 | 99 | Main component as a main component | in stock |
| P-870136441 | N/A | Main component as a main component | in stock |
| P-489160855 | 97 | Main component as a main component | in stock |
| P-596985943 | 95 | Main component as a main component | 52 g |
| P-1273453476 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273458501 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864122354 | 97 | Main component as a main component | in stock |
| P-617552247 | 98 | Main component as a main component | by synthesis |
| P-893226943 | 95 | Main component as a main component | in stock |
| P-851250718 | 95 | Main component as a main component | by synthesis |
| P-860799142 | 98 | Main component as a main component | in stock |
| P-868621948 | 97 | Main component as a main component | in stock |
| P-579480166 | 95 | Main component as a main component | in stock |
| P-862096560 | 97 | Main component as a main component | 57 g |
| P-905323379 | 97 | Main component as a main component | 1000 mg |
| P-505546298 | 95 | Main component as a main component | in stock |
| P-492243812 | 95 | Main component as a main component | in stock |
| P-524440080 | 97 | Main component as a main component | 2.194 g |
| P-579628969 | 98 | Main component as a main component | in stock |
| P-1272598037 | 95 | Main component as a main component | 25 g |
| P-852523688 | 95 | Main component as a main component | by synthesis |
| P-1272494067 | 95 | Main component as a main component | in stock |
| P-854721468 | 95 | Main component as a main component | in stock |
| P-474027928 | 95 | Main component as a main component | in stock |
| P-608278123 | 98 | Main component as a main component | in stock |
| P-579712856 | 98 | Main component as a main component | in stock |
| P-869130068 | 95 | Main component as a main component | 516 mg |
| P-892291872 | 95 | Main component as a main component | 516 mg |
| P-888642003 | 95 | Main component as a main component | 516 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 334.907 |
| logP | 5.06 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 40.57 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 105.2627 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
