Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3320282256-0
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 | 115 USD | 95 | 27 working days | Get Quote |
| 5 mg | 115 USD | 95 | 27 working days | Get Quote |
| 10 mg | 115 USD | 95 | 27 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-1690213578-0
- Component type: Main
-
1
MCULE-3169739755-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3320282256-0.sdf |
| SMILES | MCULE-3320282256-0.smiles |
| Standard InChI | MCULE-3320282256-0.inchi |
| InChIKey | MCULE-3320282256-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875777689 | 98 | As is | in stock |
| P-894614774 | 95 | As is | by resynthesis (? - ? days) |
| P-874608714 | 95 | As is | by resynthesis (? - ? days) |
| P-903120367 | 98 | As is | 6 g |
| P-893555981 | 90 | As is | 25.22 g |
| P-1270349854 | 98 | As is | in stock |
| P-851829952 | N/A | As is | by synthesis |
| P-597003419 | 98 | As is | 6 g |
| P-895953436 | 95 | As is | by resynthesis (? - ? days) |
| P-864167264 | 98 | As is | in stock |
| P-591117972 | 98 | As is | by synthesis |
| P-887232680 | 95 | As is | by synthesis |
| P-889432641 | 98 | As is | 12.617 g |
| P-579456240 | 97 | As is | 250 mg |
| P-579456881 | 97 | As is | 250 mg |
| P-895246275 | 95 | As is | by synthesis |
| P-906809268 | 98 | As is | by synthesis |
| P-611533727 | 90 | As is | in stock |
| P-1271679643 | 98 | As is | in stock |
| P-894673958 | 95 | Main component | by resynthesis (? - ? days) |
| P-864233350 | 95 | Main component | by synthesis |
| P-579456238 | 95 | Main component | 250 mg |
| P-579632002 | 95 | Main component | by resynthesis (? - ? days) |
| P-854762581 | 95 | Main component | by synthesis |
| P-860012676 | 95 | Main component | by synthesis |
| P-1271525588 | 95 | Main component | by synthesis |
| P-500238307 | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 366.434 |
| logP | 4.4929 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 127.1 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 94.1114 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
