Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9772950739-0
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 | 73 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-9772950739-0.sdf |
| SMILES | MCULE-9772950739-0.smiles |
| Standard InChI | MCULE-9772950739-0.inchi |
| InChIKey | MCULE-9772950739-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642038 | N/A | As is | in stock |
| P-852067964 | 90 | As is | by synthesis |
| P-869343125 | 95 | As is | in stock |
| P-904028251 | N/A | As is | by synthesis |
| P-851539676 | N/A | As is | by synthesis |
| P-901362339 | 95 | As is | by synthesis |
| P-454733403 | 90 | As is | in stock |
| P-584555209 | 90 | As is | 7 mg |
| P-436473402 | 95 | As is | in stock |
| P-34859138 | 90 | As is | in stock |
| P-34506069 | 90 | As is | by synthesis |
| P-575334168 | 95 | As is | in stock |
| P-18709409 | 90 | As is | 4.187 g |
| P-454379624 | 90 | As is | 4.187 g |
| P-500405047 | 98 | As is | by synthesis |
| P-19626777 | 90 | As is | in stock |
| P-33442245 | 90 | As is | in stock |
| P-888453631 | 94 | As is | by resynthesis (? - ? days) |
| P-855325818 | 90 | As is | in stock |
| P-1911413 | 90 | As is | 17 mg |
| P-893827331 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.594 |
| logP | 4.9986 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.9585 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
