Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1969432615
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 | 13 USD | 99 | 22 working days | Get Quote |
| 5 mg | 13 USD | 99 | 22 working days | Get Quote |
| 10 mg | 26 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.
-
MCULE-2801983845
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1969432615.sdf |
| SMILES | MCULE-1969432615.smiles |
| Standard InChI | MCULE-1969432615.inchi |
| InChIKey | MCULE-1969432615.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899990516 | 95 | As is | by synthesis |
| P-892266017 | 95 | As is | unavailable |
| P-892346308 | 95 | As is | unavailable |
| P-867667080 | 99 | As a main component | in stock |
| P-875834458 | 99 | As a main component | in stock |
| P-869215202 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893617841 | 90 | As a main component | 8.902 g |
| P-1270402426 | 95 | As a main component | in stock |
| P-1263077892 | N/A | As a main component | in stock |
| P-489145603 | 97 | As a main component | in stock |
| P-619200396 | 95 | As a main component | 5 g |
| P-1273266502 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864202046 | 95 | As a main component | in stock |
| P-905131874 | 95 | As a main component | 15.07 g |
| P-1274609080 | 95 | As a main component | by synthesis |
| P-887235833 | 95 | As a main component | by synthesis |
| P-870652698 | N/A | As a main component | in stock |
| P-855920717 | 97 | As a main component | 250 mg |
| P-31194767 | 90 | As a main component | 500 mg |
| P-854715461 | 95 | As a main component | in stock |
| P-1263157638 | 95 | As a main component | by synthesis |
| P-500389608 | 99 | As a main component | by synthesis |
| P-1263958574 | 90 | As a main component | in stock |
| P-1263956658 | 90 | As a main component | in stock |
| P-885539644 | 95 | As a main component | by synthesis |
| P-617403139 | 98 | As a main component | in stock |
| P-892286424 | 95 | As a main component | unavailable |
| P-869107836 | 95 | As a main component | 197 mg |
| P-888626868 | 95 | As a main component | 197 mg |
| P-906840349 | 99 | As a main component | by synthesis |
| P-611415872 | 90 | As a main component | in stock |
| P-615419299 | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.374 |
| logP | 2.9841 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 38.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 81.296 |
| Atoms | 45 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 25 |
| 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 |
