Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1288429845
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-1288429845.sdf |
| SMILES | MCULE-1288429845.smiles |
| Standard InChI | MCULE-1288429845.inchi |
| InChIKey | MCULE-1288429845.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867591130 | 98 | As is | in stock |
| P-590416390 | 95 | As is | in stock |
| P-893547995 | 90 | As is | 529.289 g |
| P-606881131 | N/A | As is | in stock |
| P-489210020 | 97 | As is | in stock |
| P-596989328 | 98 | As is | 150 g |
| P-895924950 | 95 | As is | by resynthesis (? - ? days) |
| P-864196434 | 95 | As is | in stock |
| P-674220160 | 90 | As is | 43 mg |
| P-34566755 | 90 | As is | by synthesis |
| P-905355931 | 98 | As is | 10 g |
| P-889294025 | 98 | As is | 230.876 g |
| P-596576011 | 97 | As is | 25 g |
| P-31268283 | 90 | As is | unavailable |
| P-14083804 | 90 | As is | 65 mg |
| P-889878640 | 95 | As is | by synthesis |
| P-904089156 | 98 | As is | 62 g |
| P-22729889 | 90 | As is | in stock |
| P-906774218 | 98 | As is | by synthesis |
| P-611365600 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 270.272 |
| logP | 4.2605 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.875 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
