Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1411085491
Compound
Show structures
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 | 30 USD | 99 | 14 working days | Get Quote |
| 5 mg | 30 USD | 99 | 14 working days | Get Quote |
| 10 mg | 30 USD | 99 | 14 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.
-
MCULE-3565222599
- Component type: Main
-
MCULE-7265895908
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1411085491.sdf |
| SMILES | MCULE-1411085491.smiles |
| Standard InChI | MCULE-1411085491.inchi |
| InChIKey | MCULE-1411085491.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590976119 | 95 | As is | by synthesis |
| P-903009732 | 99 | As a main component | 5 g |
| P-893611230 | 90 | As a main component | 36.651 g |
| P-893545725 | 90 | As a main component | 19.6 g |
| P-489154263 | 97 | As a main component | in stock |
| P-590600836 | 98 | As a main component | 2.1 g |
| P-901918435 | 98 | As a main component | 2.74 g |
| P-871216515 | 95 | As a main component | by synthesis |
| P-871216524 | 95 | As a main component | by synthesis |
| P-1266987339 | 95 | As a main component | in stock |
| P-868644905 | 95 | As a main component | in stock |
| P-905361408 | 95 | As a main component | 2 g |
| P-889440817 | 98 | As a main component | 16.391 g |
| P-861976437 | 95 | As a main component | 10.284 g |
| P-1272588654 | 95 | As a main component | 4 g |
| P-852466253 | 98 | As a main component | by synthesis |
| P-852466957 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 422.610 |
| logP | 0.8548 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 132.24 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.7639 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
