Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1948979772
Compound
Show structures
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 | 32 USD | 95 | 14 working days | Get Quote |
| 5 mg | 32 USD | 95 | 14 working days | Get Quote |
| 10 mg | 32 USD | 95 | 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-1948979772.sdf |
| SMILES | MCULE-1948979772.smiles |
| Standard InChI | MCULE-1948979772.inchi |
| InChIKey | MCULE-1948979772.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872828606 | 95 | As is | in stock |
| P-867668549 | 97 | As is | in stock |
| P-875773899 | 95 | As is | in stock |
| P-890176911 | 97 | As is | in stock |
| P-612942878 | 95 | As is | by resynthesis (? - ? days) |
| P-893503994 | 90 | As is | 43.74 g |
| P-1270346205 | 97 | As is | in stock |
| P-888308602 | N/A | As is | in stock |
| P-865928103 | 97 | As is | 10 g |
| P-895953165 | 95 | As is | by resynthesis (? - ? days) |
| P-596474502 | 90 | As is | 1000 mg |
| P-869389664 | 95 | As is | in stock |
| P-890245759 | 97 | As is | 250 mg |
| P-890236516 | 95 | As is | by synthesis |
| P-901475625 | 95 | As is | by synthesis |
| P-492250763 | 95 | As is | in stock |
| P-861372788 | 95 | As is | by synthesis |
| P-580378171 | N/A | As is | by resynthesis (? - ? days) |
| P-580337237 | 95 | As is | by resynthesis (? - ? days) |
| P-861974132 | 95 | As is | 23.239 g |
| P-893293775 | 90 | As is | unavailable |
| P-454287494 | 90 | As is | unavailable |
| P-1272566535 | N/A | As is | 5 g |
| P-852386742 | N/A | As is | by synthesis |
| P-895183613 | 95 | As is | in stock |
| P-873237108 | 90 | As is | in stock |
| P-33586687 | 94 | As is | by resynthesis (? - ? days) |
| P-611567690 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.166 |
| logP | 0.9787 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 40.286 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 11 |
| 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 |
