Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9444917517-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9444917517-0.sdf |
| SMILES | MCULE-9444917517-0.smiles |
| Standard InChI | MCULE-9444917517-0.inchi |
| InChIKey | MCULE-9444917517-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623462 | 95 | As is | in stock |
| P-875785296 | N/A | As is | in stock |
| P-903134914 | 95 | As is | 5 g |
| P-851601776 | N/A | As is | by synthesis |
| P-904968982 | 95 | As is | by synthesis |
| P-590845718 | 95 | As is | by synthesis |
| P-901555754 | 95 | As is | by synthesis |
| P-454762296 | 90 | As is | in stock |
| P-619830951 | 90 | As is | 65 mg |
| P-870586132 | 98 | As is | in stock |
| P-34608697 | 90 | As is | by synthesis |
| P-580781043 | 90 | As is | by resynthesis (? - ? days) |
| P-580770062 | 90 | As is | in stock |
| P-596568537 | 95 | As is | 1000 mg |
| P-615645834 | 95 | As is | in stock |
| P-580474699 | N/A | As is | by synthesis |
| P-854773215 | 95 | As is | by synthesis |
| P-491134625 | 95 | As is | by synthesis |
| P-23883210 | 90 | As is | in stock |
| P-33468703 | 90 | As is | in stock |
| P-502346291 | 90 | As is | in stock |
| P-906895717 | 95 | As is | by synthesis |
| P-611569954 | 90 | As is | in stock |
| P-1236671 | 90 | As is | 171 mg |
| P-615415931 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.176 |
| logP | 1.4307 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 56.73 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.7634 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
