Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1122339961
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 | 11 USD | 98 | 8 working days | Get Quote |
| 5 mg | 24 USD | 98 | 8 working days | Get Quote |
| 10 mg | 35 USD | 98 | 8 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.
-
MCULE-1622189425
- Component type: Main
-
MCULE-5710414663
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1122339961.sdf |
| SMILES | MCULE-1122339961.smiles |
| Standard InChI | MCULE-1122339961.inchi |
| InChIKey | MCULE-1122339961.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903055390 | 98 | As is | 30 g |
| P-610961028 | 90 | As is | 187.668 g |
| P-580719002 | 98 | As is | 1.466 g |
| P-579722352 | 95 | As is | 50.58 g |
| P-861500687 | 95 | As is | by synthesis |
| P-579479994 | 95 | As is | in stock |
| P-579627123 | 97 | As is | 10 g |
| P-852490181 | N/A | As is | in stock |
| P-854712777 | 95 | As is | in stock |
| P-474021678 | 95 | As is | in stock |
| P-608278070 | 98 | As is | in stock |
| P-579712637 | N/A | As is | in stock |
| P-906803782 | 98 | As is | by synthesis |
| P-903458035 | 98 | As a main component | 250 mg |
| P-892413405 | 98 | As a main component | 498 mg |
| P-1263262332 | 95 | As a main component | by synthesis |
| P-895204934 | 95 | As a main component | by synthesis |
| P-895187115 | 95 | As a main component | in stock |
| P-896072714 | 95 | As a main component | in stock |
| P-896072715 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 398.481 |
| logP | 4.0225 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 124.61 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 109.3157 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
