Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3652875089
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 | 47 USD | 90 | 22 working days | Get Quote |
| 5 mg | 69 USD | 90 | 22 working days | Get Quote |
| 10 mg | 87 USD | 90 | 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.
-
1
MCULE-3287499983
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3652875089.sdf |
| SMILES | MCULE-3652875089.smiles |
| Standard InChI | MCULE-3652875089.inchi |
| InChIKey | MCULE-3652875089.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675371349 | 90 | As is | in stock |
| P-867626407 | N/A | Main component | in stock |
| P-875788795 | N/A | Main component | in stock |
| P-869341077 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264563481 | N/A | Main component | 2.5 g |
| P-851855544 | N/A | Main component | by synthesis |
| P-596491274 | 90 | Main component | unavailable |
| P-896048638 | 95 | Main component | by synthesis |
| P-591179666 | 95 | Main component | by synthesis |
| P-893229479 | 95 | Main component | in stock |
| P-504689933 | 85 | Main component | 5 mg |
| P-4310739 | 90 | Main component | 12 mg |
| P-167014 | 90 | Main component | 315 mg |
| P-34685447 | 90 | Main component | by synthesis |
| P-503137367 | 90 | Main component | by synthesis |
| P-492221775 | 95 | Main component | in stock |
| P-893293928 | 90 | Main component | 208 mg |
| P-18818543 | 90 | Main component | 208 mg |
| P-613279899 | 95 | Main component | by synthesis |
| P-854868439 | 95 | Main component | by synthesis |
| P-13144100 | 90 | Main component | 1 mg |
| P-18861006 | 90 | Main component | in stock |
| P-502331626 | 90 | Main component | in stock |
| P-855250523 | 90 | Main component | in stock |
| P-1871230 | 90 | Main component | 119 mg |
| P-867458250 | 95 | Main component as a main component | by synthesis |
| P-1268900545 | 95 | Main component as a main component | by synthesis |
| P-894667582 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-851528498 | N/A | Main component as a main component | by synthesis |
| P-892495273 | 90 | Main component as a main component | 1000 mg |
| P-590886519 | 95 | Main component as a main component | by synthesis |
| P-675254092 | 95 | Main component as a main component | by synthesis |
| P-613277175 | 95 | Main component as a main component | by synthesis |
| P-1272563852 | N/A | Main component as a main component | 500 mg |
| P-852380737 | N/A | Main component as a main component | by synthesis |
| P-854896646 | 95 | Main component as a main component | by synthesis |
| P-1272899448 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-611439883 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 284.334 |
| logP | 3.1314 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 0 |
| PSA | 110.8 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 76.669 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
