Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1120284262
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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 42 USD | 98 | 16 working days | Get Quote |
| 10 mg | 65 USD | 98 | 16 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-1120284262.sdf |
| SMILES | MCULE-1120284262.smiles |
| Standard InChI | MCULE-1120284262.inchi |
| InChIKey | MCULE-1120284262.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653850 | 98 | As is | in stock |
| P-875820990 | 98 | As is | in stock |
| P-869196129 | 95 | As is | by resynthesis (? - ? days) |
| P-505401440 | 95 | As is | by resynthesis (? - ? days) |
| P-872727837 | 98 | As is | in stock |
| P-1264052897 | 99 | As is | in stock |
| P-893607695 | 90 | As is | 2.025 g |
| P-1270301150 | 99 | As is | in stock |
| P-889751596 | N/A | As is | in stock |
| P-895103179 | 99 | As is | 250 mg |
| P-1273260264 | 95 | As is | by resynthesis (? - ? days) |
| P-896026869 | 95 | As is | in stock |
| P-890237550 | 99 | As is | 418 mg |
| P-901438594 | 95 | As is | by synthesis |
| P-851299517 | 95 | As is | by synthesis |
| P-860799065 | 98 | As is | in stock |
| P-893627157 | 95 | As is | by synthesis |
| P-579479376 | 95 | As is | in stock |
| P-868078466 | 95 | As is | in stock |
| P-524166845 | 95 | As is | 10 mg |
| P-854712179 | 95 | As is | in stock |
| P-474025011 | 95 | As is | in stock |
| P-608277531 | 98 | As is | in stock |
| P-19191174 | 90 | As is | in stock |
| P-580051430 | 95 | As is | 473 mg |
| P-892295180 | 95 | As is | 472 mg |
| P-888656414 | 95 | As is | 472 mg |
| P-923493 | 90 | As is | 195 mg |
| P-893944120 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.358 |
| logP | 4.0353 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 51.46 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 90.9113 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 19 |
| 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 |
