Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2295905400
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 | 13 USD | 97 | 14 working days | Get Quote |
| 5 mg | 13 USD | 97 | 14 working days | Get Quote |
| 10 mg | 13 USD | 97 | 14 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-2295905400.sdf |
| SMILES | MCULE-2295905400.smiles |
| Standard InChI | MCULE-2295905400.inchi |
| InChIKey | MCULE-2295905400.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637615 | 97 | As is | in stock |
| P-875802618 | 97 | As is | in stock |
| P-590418780 | 97 | As is | by resynthesis (? - ? days) |
| P-903158118 | 97 | As is | 15 g |
| P-610964952 | 90 | As is | 126.822 g |
| P-1270275299 | 97 | As is | in stock |
| P-606881046 | N/A | As is | in stock |
| P-489223907 | 97 | As is | in stock |
| P-596968121 | 97 | As is | 5 g |
| P-494342236 | 95 | As is | by resynthesis (? - ? days) |
| P-864159912 | 95 | As is | in stock |
| P-580706556 | 97 | As is | 3.35 g |
| P-1274609172 | 95 | As is | by synthesis |
| P-889032205 | 97 | As is | in stock |
| P-905342252 | 97 | As is | 1000 mg |
| P-862017754 | 97 | As is | 17.321 g |
| P-524184478 | 95 | As is | 250 mg |
| P-854735630 | 95 | As is | in stock |
| P-888891568 | N/A | As is | in stock |
| P-873284531 | N/A | As is | in stock |
| P-596748649 | 97 | As is | 21.2 g |
| P-906783641 | 97 | As is | by synthesis |
| P-615653470 | 95 | As is | unavailable |
| P-1271718090 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.283 |
| logP | 3.2213 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 55.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.9934 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 18 |
| 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 |
