Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7978606498
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 | 6 USD | 95 | 22 working days | Get Quote |
| 5 mg | 6 USD | 95 | 22 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-7978606498.sdf |
| SMILES | MCULE-7978606498.smiles |
| Standard InChI | MCULE-7978606498.inchi |
| InChIKey | MCULE-7978606498.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581693 | 95 | As is | in stock |
| P-875740446 | N/A | As is | in stock |
| P-869182723 | 95 | As is | in stock |
| P-505398710 | 98 | As is | in stock |
| P-903071338 | 95 | As is | 500 g |
| P-901166938 | 98 | As is | in stock |
| P-606831463 | N/A | As is | in stock |
| P-489131966 | 97 | As is | in stock |
| P-596952717 | 95 | As is | 640 g |
| P-866721830 | 95 | As is | by resynthesis (? - ? days) |
| P-864124292 | 97 | As is | in stock |
| P-481168964 | 95 | As is | 19 g |
| P-580701958 | 95 | As is | 157 g |
| P-893223638 | 95 | As is | in stock |
| P-577180895 | 90 | As is | by synthesis |
| P-868584705 | 98 | As is | in stock |
| P-580302858 | 95 | As is | by resynthesis (? - ? days) |
| P-889109888 | 95 | As is | 147 g |
| P-861919124 | 95 | As is | 147 g |
| P-905327929 | 95 | As is | 147 g |
| P-870655607 | N/A | As is | in stock |
| P-502472903 | 95 | As is | by synthesis |
| P-454330482 | 97 | As is | 164 mg |
| P-454407550 | 97 | As is | 500 g |
| P-579616190 | 97 | As is | unavailable |
| P-580466245 | N/A | As is | by synthesis |
| P-852379276 | N/A | As is | in stock |
| P-855399678 | 95 | As is | in stock |
| P-500377872 | 97 | As is | by synthesis |
| P-889869503 | 95 | As is | by synthesis |
| P-520088615 | 90 | As is | in stock |
| P-596749733 | 95 | As is | 782 g |
| P-502360845 | 90 | As is | in stock |
| P-22529813 | 90 | As is | 1000 mg |
| P-906776751 | 97 | As is | by synthesis |
| P-580448583 | 97 | As is | in stock |
| P-2519627 | 90 | As is | 13 mg |
| P-481014162 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 242.269 |
| logP | 2.8927 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.9658 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
