Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7988633559
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 | 10 USD | 97 | 22 working days | Get Quote |
| 5 mg | 10 USD | 97 | 22 working days | Get Quote |
| 10 mg | 10 USD | 97 | 22 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-7988633559.sdf |
| SMILES | MCULE-7988633559.smiles |
| Standard InChI | MCULE-7988633559.inchi |
| InChIKey | MCULE-7988633559.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867610787 | 97 | As is | in stock |
| P-875770568 | 97 | As is | in stock |
| P-869256022 | 97 | As is | by resynthesis (? - ? days) |
| P-903110480 | 98 | As is | 50 g |
| P-893531114 | 90 | As is | 337.799 g |
| P-1270316985 | 98 | As is | in stock |
| P-875894735 | 95 | As is | in stock |
| P-606925371 | N/A | As is | in stock |
| P-489207986 | 97 | As is | in stock |
| P-596976770 | 98 | As is | 50 g |
| P-895922972 | 95 | As is | by resynthesis (? - ? days) |
| P-864164100 | 95 | As is | in stock |
| P-855390937 | 98 | As is | 4.828 g |
| P-893248883 | 95 | As is | by synthesis |
| P-887062436 | 95 | As is | in stock |
| P-862022804 | 97 | As is | 25.337 g |
| P-579454814 | 95 | As is | 488 mg |
| P-596546822 | 95 | As is | 488 mg |
| P-608117817 | 95 | As is | in stock |
| P-872929870 | N/A | As is | by synthesis |
| P-854752906 | 95 | As is | in stock |
| P-888902152 | N/A | As is | in stock |
| P-596751686 | 95 | As is | 32.299 g |
| P-611609608 | 90 | As is | in stock |
| P-1271720940 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.058 |
| logP | 2.0891 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.7094 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
