Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5831442069
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 | 11 USD | N/A | 9 working days | Get Quote |
| 5 mg | 11 USD | N/A | 9 working days | Get Quote |
| 10 mg | 11 USD | N/A | 9 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-2767244497
- Component type: Main
-
MCULE-8466543758
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5831442069.sdf |
| SMILES | MCULE-5831442069.smiles |
| Standard InChI | MCULE-5831442069.inchi |
| InChIKey | MCULE-5831442069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892877257 | 95 | As is | in stock |
| P-890181028 | 95 | As is | in stock |
| P-892794350 | 95 | As is | by resynthesis (? - ? days) |
| P-903293513 | 95 | As is | 10 g |
| P-1270389467 | 95 | As is | in stock |
| P-851656652 | N/A | As is | by synthesis |
| P-489160373 | 97 | As is | in stock |
| P-888826637 | 95 | As is | 7.25 g |
| P-494329855 | 95 | As is | by resynthesis (? - ? days) |
| P-889786554 | 95 | As is | in stock |
| P-889733147 | 95 | As is | by synthesis |
| P-889286433 | 97 | As is | 800 mg |
| P-31275748 | 90 | As is | 10 g |
| P-856044408 | 90 | As is | 10 g |
| P-1272493836 | 95 | As is | in stock |
| P-500404553 | 98 | As is | by synthesis |
| P-906902384 | 95 | As is | in stock |
| P-1271684256 | 95 | As is | in stock |
| P-1275145607 | 95 | As a main component | in stock |
| P-1275185075 | 98 | As a main component | in stock |
| P-851927833 | N/A | As a main component | in stock |
| P-851945358 | N/A | As a main component | in stock |
| P-881622537 | N/A | As a main component | by synthesis |
| P-866720385 | 95 | As a main component | by resynthesis (? - ? days) |
| P-616205637 | 97 | As a main component | 125 g |
| P-901466061 | 95 | As a main component | by synthesis |
| P-868614577 | 97 | As a main component | in stock |
| P-905319936 | 95 | As a main component | 500 g |
| P-905346790 | 95 | As a main component | 2 kg |
| P-675211494 | 95 | As a main component | in stock |
| P-855910250 | 99 | As a main component | 25.601 g |
| P-856005859 | 99 | As a main component | 25.601 g |
| P-1272588868 | 95 | As a main component | 1000 g |
| P-852467413 | 95 | As a main component | by synthesis |
| P-863688655 | 95 | As a main component | in stock |
| P-906904881 | 98 | As a main component | in stock |
| P-611511933 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.196 |
| logP | 1.4105 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 137.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.2194 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 6 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
