Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1573271368
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 | 28 USD | 98 | 22 working days | Get Quote |
| 5 mg | 28 USD | 98 | 22 working days | Get Quote |
| 10 mg | 41 USD | 98 | 22 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-1867931817
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1573271368.sdf |
| SMILES | MCULE-1573271368.smiles |
| Standard InChI | MCULE-1573271368.inchi |
| InChIKey | MCULE-1573271368.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-868658865 | 95 | As is | in stock |
| P-904519852 | 95 | Main component | in stock |
| P-874625802 | 97 | Main component | in stock |
| P-893300962 | N/A | Main component | in stock |
| P-851744827 | N/A | Main component | by synthesis |
| P-611134144 | 98 | Main component | by synthesis |
| P-855963504 | 97 | Main component | 1000 mg |
| P-901027934 | 95 | Main component | by synthesis |
| P-892245235 | 95 | Main component | by synthesis |
| P-892332300 | 95 | Main component | unavailable |
| P-867673629 | 98 | Main component as a main component | in stock |
| P-875848144 | N/A | Main component as a main component | in stock |
| P-869197456 | 95 | Main component as a main component | in stock |
| P-903231440 | 98 | Main component as a main component | 10 mg |
| P-851394973 | N/A | Main component as a main component | by synthesis |
| P-895104523 | 98 | Main component as a main component | 10 mg |
| P-889521752 | 95 | Main component as a main component | by synthesis |
| P-611007558 | 95 | Main component as a main component | by synthesis |
| P-851314700 | 95 | Main component as a main component | by synthesis |
| P-868660283 | 95 | Main component as a main component | in stock |
| P-524167003 | 95 | Main component as a main component | 100 mg |
| P-854717814 | 95 | Main component as a main component | in stock |
| P-888169348 | 98 | Main component as a main component | by synthesis |
| P-893662678 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 279.805 |
| logP | 1.6393 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 67.59 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.2541 |
| Atoms | 44 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
