Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1455423772
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 | 8 USD | 97 | 6 working days | Get Quote |
| 5 mg | 8 USD | 97 | 6 working days | Get Quote |
| 10 mg | 8 USD | 97 | 6 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.
-
1
MCULE-4252006564
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1455423772.sdf |
| SMILES | MCULE-1455423772.smiles |
| Standard InChI | MCULE-1455423772.inchi |
| InChIKey | MCULE-1455423772.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590418671 | 98 | As is | in stock |
| P-905480051 | 97 | As is | 10 g |
| P-606917658 | N/A | As is | in stock |
| P-494436480 | 95 | As is | by resynthesis (? - ? days) |
| P-864086846 | 97 | As is | in stock |
| P-580724805 | 98 | As is | 301.25 g |
| P-580401179 | 95 | As is | by resynthesis (? - ? days) |
| P-905347392 | 97 | As is | 274 g |
| P-862035084 | 97 | As is | 1.00245 kg |
| P-856007499 | 98 | As is | 100 mg |
| P-524186991 | 98 | As is | 100 g |
| P-608080983 | 95 | As is | 500 g |
| P-895083307 | 95 | As is | 14 g |
| P-852462705 | N/A | As is | in stock |
| P-885539811 | 95 | As is | by synthesis |
| P-596762575 | 95 | As is | 2.6728 kg |
| P-906759991 | 98 | As is | by synthesis |
| P-906820189 | 98 | As is | by synthesis |
| P-611430855 | 90 | As is | in stock |
| P-615393877 | 95 | As is | in stock |
| P-867686498 | 98 | Main component as a main component | in stock |
| P-875864202 | N/A | Main component as a main component | in stock |
| P-874649805 | 98 | Main component as a main component | in stock |
| P-869278186 | 95 | Main component as a main component | in stock |
| P-903324388 | 98 | Main component as a main component | 30 g |
| P-893577523 | 90 | Main component as a main component | 147.221 g |
| P-893577828 | 90 | Main component as a main component | 87.02 g |
| P-606936103 | N/A | Main component as a main component | in stock |
| P-851945306 | N/A | Main component as a main component | in stock |
| P-868835477 | 98 | Main component as a main component | 30 g |
| P-895926123 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-895928543 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864205404 | 95 | Main component as a main component | in stock |
| P-864125707 | 97 | Main component as a main component | in stock |
| P-615699182 | 98 | Main component as a main component | 6.25 g |
| P-868571277 | 98 | Main component as a main component | in stock |
| P-868625288 | 98 | Main component as a main component | in stock |
| P-905354530 | 98 | Main component as a main component | 6 g |
| P-855964453 | 97 | Main component as a main component | 5 g |
| P-855962738 | 97 | Main component as a main component | 5 g |
| P-863704741 | 95 | Main component as a main component | in stock |
| P-904091348 | 97 | Main component as a main component | 12.5 g |
| P-904091349 | 97 | Main component as a main component | 62.5 g |
| P-906823228 | 97 | Main component as a main component | by synthesis |
| P-906765454 | 97 | Main component as a main component | by synthesis |
| P-906856360 | 97 | Main component as a main component | by synthesis |
| P-886896614 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 340.887 |
| logP | 1.6084 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 8.81 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 106.196 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 25 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
