Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6770173361
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 | 9 USD | 97 | 14 working days | Get Quote |
| 5 mg | 9 USD | 97 | 14 working days | Get Quote |
| 10 mg | 9 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6770173361.sdf |
| SMILES | MCULE-6770173361.smiles |
| Standard InChI | MCULE-6770173361.inchi |
| InChIKey | MCULE-6770173361.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867610990 | 97 | As is | in stock |
| P-875770856 | 97 | As is | in stock |
| P-597024027 | 97 | As is | unavailable |
| P-590404863 | 95 | As is | by resynthesis (? - ? days) |
| P-903110953 | 97 | As is | 50 g |
| P-893491759 | 90 | As is | 172.32 g |
| P-901165848 | 98 | As is | in stock |
| P-1270327061 | 97 | As is | in stock |
| P-580246358 | 95 | As is | by synthesis |
| P-606917938 | N/A | As is | in stock |
| P-489206956 | 97 | As is | in stock |
| P-596962542 | 98 | As is | 30 g |
| P-866720744 | 95 | As is | by resynthesis (? - ? days) |
| P-864098548 | 95 | As is | in stock |
| P-580710277 | 97 | As is | 6 g |
| P-851240021 | 95 | As is | by synthesis |
| P-868562512 | 98 | As is | in stock |
| P-580411421 | 95 | As is | by resynthesis (? - ? days) |
| P-862015797 | 98 | As is | 90.32 g |
| P-1275223423 | 98 | As is | 8 g |
| P-675217361 | 95 | As is | in stock |
| P-619806215 | 96 | As is | in stock |
| P-524183405 | 97 | As is | 5 g |
| P-1272584969 | 95 | As is | 25 g |
| P-852458416 | 95 | As is | by synthesis |
| P-854747672 | 95 | As is | in stock |
| P-596791738 | 97 | As is | 153.3 g |
| P-906755499 | 98 | As is | by synthesis |
| P-906783030 | 98 | As is | by synthesis |
| P-855227438 | 90 | As is | in stock |
| P-1271634499 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 264.213 |
| logP | 4.3904 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 18.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 82.861 |
| Atoms | 48 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 29 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
