Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5561211053-0
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 | 16 USD | 97 | 14 working days | Get Quote |
| 5 mg | 16 USD | 97 | 14 working days | Get Quote |
| 10 mg | 16 USD | 97 | 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-4580229540-0
- Component type: Main
-
1
MCULE-9976402631-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5561211053-0.sdf |
| SMILES | MCULE-5561211053-0.smiles |
| Standard InChI | MCULE-5561211053-0.inchi |
| InChIKey | MCULE-5561211053-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852418330 | N/A | As is | in stock |
| P-855306024 | 90 | As is | in stock |
| P-860631186 | N/A | Main component | by synthesis |
| P-869292499 | 95 | Main component | in stock |
| P-851398961 | N/A | Main component | by synthesis |
| P-864190944 | 95 | Main component | in stock |
| P-590720665 | 95 | Main component | by synthesis |
| P-619932367 | 90 | Main component | by synthesis |
| P-851251086 | 95 | Main component | by synthesis |
| P-887198779 | 95 | Main component | by synthesis |
| P-580384830 | N/A | Main component | by resynthesis (? - ? days) |
| P-613335053 | 95 | Main component | by synthesis |
| P-852503793 | N/A | Main component | in stock |
| P-854885539 | 95 | Main component | by synthesis |
| P-873220800 | 90 | Main component | in stock |
| P-855248789 | 90 | Main component | in stock |
| P-886919433 | 95 | Main component | by synthesis |
| P-892889417 | 98 | Main component as a main component | in stock |
| P-867664297 | 97 | Main component as a main component | in stock |
| P-875832597 | N/A | Main component as a main component | in stock |
| P-890190396 | N/A | Main component as a main component | in stock |
| P-869356908 | 95 | Main component as a main component | in stock |
| P-590388262 | 95 | Main component as a main component | in stock |
| P-903389236 | 98 | Main component as a main component | 5 g |
| P-903208951 | 97 | Main component as a main component | 100 g |
| P-610973700 | 90 | Main component as a main component | 148.64 g |
| P-893602002 | 90 | Main component as a main component | 60 g |
| P-606857066 | N/A | Main component as a main component | in stock |
| P-872714153 | N/A | Main component as a main component | in stock |
| P-489205431 | 97 | Main component as a main component | in stock |
| P-596973388 | 97 | Main component as a main component | 50 g |
| P-888831883 | 98 | Main component as a main component | 25 g |
| P-494422076 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889788862 | 95 | Main component as a main component | in stock |
| P-864153058 | 95 | Main component as a main component | in stock |
| P-872718167 | 98 | Main component as a main component | 2.2 g |
| P-590609012 | 97 | Main component as a main component | 6.25 g |
| P-616226305 | 95 | Main component as a main component | in stock |
| P-4155561 | 90 | Main component as a main component | 1 mg |
| P-584597317 | 95 | Main component as a main component | 11 g |
| P-579722846 | 95 | Main component as a main component | 6.08 g |
| P-868637478 | 95 | Main component as a main component | in stock |
| P-868641802 | 97 | Main component as a main component | in stock |
| P-905408579 | 98 | Main component as a main component | 25 g |
| P-862011791 | 95 | Main component as a main component | 77.598 g |
| P-524188712 | 97 | Main component as a main component | 10 g |
| P-852409851 | N/A | Main component as a main component | in stock |
| P-869037675 | 95 | Main component as a main component | by synthesis |
| P-854734920 | 95 | Main component as a main component | in stock |
| P-888866911 | N/A | Main component as a main component | in stock |
| P-889870602 | 95 | Main component as a main component | by synthesis |
| P-596754247 | 95 | Main component as a main component | 57.5 g |
| P-906856487 | 98 | Main component as a main component | by synthesis |
| P-611571515 | 90 | Main component as a main component | in stock |
| P-893940185 | 95 | Main component as a main component | in stock |
| P-886912141 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 277.239 |
| logP | 2.1371 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.2075 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
