Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9796813027
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 | 20 USD | 95 | 20 working days | Get Quote |
| 5 mg | 20 USD | 95 | 20 working days | Get Quote |
| 10 mg | 20 USD | 95 | 20 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-9796813027.sdf |
| SMILES | MCULE-9796813027.smiles |
| Standard InChI | MCULE-9796813027.inchi |
| InChIKey | MCULE-9796813027.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641903 | 95 | As is | in stock |
| P-875808150 | N/A | As is | in stock |
| P-597024763 | 95 | As is | in stock |
| P-590392685 | 95 | As is | in stock |
| P-903165853 | 95 | As is | 15 g |
| P-893574965 | 90 | As is | 162.415 g |
| P-580243769 | 95 | As is | by synthesis |
| P-606950657 | N/A | As is | in stock |
| P-489241150 | 97 | As is | in stock |
| P-596969111 | 95 | As is | 50 g |
| P-864104440 | 95 | As is | in stock |
| P-580699959 | 95 | As is | 1.25 g |
| P-874579599 | 90 | As is | 68 mg |
| P-851206120 | 95 | As is | in stock |
| P-888184627 | 90 | As is | in stock |
| P-851280344 | 95 | As is | by synthesis |
| P-868591801 | 95 | As is | in stock |
| P-905337872 | 95 | As is | 2 g |
| P-861986796 | 95 | As is | 14.346 g |
| P-492243839 | 95 | As is | in stock |
| P-454305105 | 90 | As is | unavailable |
| P-580470486 | N/A | As is | by synthesis |
| P-852443169 | N/A | As is | in stock |
| P-895222779 | 95 | As is | in stock |
| P-888874546 | N/A | As is | in stock |
| P-1263959336 | 90 | As is | in stock |
| P-491205192 | 95 | As is | by synthesis |
| P-19576035 | 90 | As is | in stock |
| P-907173780 | 94 | As is | by resynthesis (? - ? days) |
| P-611506858 | 90 | As is | in stock |
| P-611529831 | 90 | As is | in stock |
| P-1408332 | 90 | As is | 351 mg |
| P-868506640 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 0.1946 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 62.22 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 43.202 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 |
