Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1204304253
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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 99 USD | 90 | 17 working days | Get Quote |
| 10 mg | 110 USD | 90 | 17 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.
-
MCULE-1936951543
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1204304253.sdf |
| SMILES | MCULE-1204304253.smiles |
| Standard InChI | MCULE-1204304253.inchi |
| InChIKey | MCULE-1204304253.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886703412 | 95 | As is | in stock |
| P-901222030 | N/A | As is | by synthesis |
| P-869337093 | 95 | As is | in stock |
| P-903273257 | 95 | As is | 2.5 g |
| P-851839124 | N/A | As is | by synthesis |
| P-869992482 | 90 | As is | 1000 mg |
| P-611152163 | 95 | As is | by synthesis |
| P-901528319 | 95 | As is | by synthesis |
| P-492223913 | 95 | As is | in stock |
| P-895565260 | 95 | As is | by synthesis |
| P-33912551 | 90 | As is | in stock |
| P-502356738 | 90 | As is | in stock |
| P-873101445 | 94 | As is | by resynthesis (? - ? days) |
| P-873064331 | 94 | As is | by resynthesis (? - ? days) |
| P-611579695 | 90 | As is | in stock |
| P-867425615 | 95 | As a main component | by synthesis |
| P-904540995 | 95 | As a main component | in stock |
| P-893470500 | 90 | As a main component | 4.877 g |
| P-899945577 | N/A | As a main component | by synthesis |
| P-851871696 | N/A | As a main component | by synthesis |
| P-901899603 | 97 | As a main component | by synthesis |
| P-591180084 | 95 | As a main component | by synthesis |
| P-675398592 | 90 | As a main component | in stock |
| P-502943288 | 90 | As a main component | in stock |
| P-25840496 | 95 | As a main component | 4.871 g |
| P-601054449 | 90 | As a main component | 4.871 g |
| P-852508550 | N/A | As a main component | in stock |
| P-895263158 | 95 | As a main component | by synthesis |
| P-855252535 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.258 |
| logP | 2.7566 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.1227 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
