Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9588565169
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 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-9588565169.sdf |
| SMILES | MCULE-9588565169.smiles |
| Standard InChI | MCULE-9588565169.inchi |
| InChIKey | MCULE-9588565169.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579302 | 98 | As is | in stock |
| P-875738378 | N/A | As is | in stock |
| P-590413006 | 95 | As is | in stock |
| P-903068410 | 97 | As is | 200 g |
| P-893549151 | 90 | As is | 1.39116 kg |
| P-606916047 | N/A | As is | in stock |
| P-489157133 | 97 | As is | in stock |
| P-596983579 | 97 | As is | 300 g |
| P-895931040 | 95 | As is | by resynthesis (? - ? days) |
| P-895947337 | 95 | As is | by resynthesis (? - ? days) |
| P-864177519 | 96 | As is | in stock |
| P-619604613 | 98 | As is | 51 g |
| P-893228178 | 95 | As is | in stock |
| P-454729063 | 90 | As is | in stock |
| P-436472368 | 95 | As is | 2 g |
| P-34884938 | 90 | As is | in stock |
| P-868616214 | 97 | As is | in stock |
| P-580405444 | 95 | As is | by resynthesis (? - ? days) |
| P-862069276 | 96 | As is | 13 g |
| P-905350352 | 96 | As is | 13 g |
| P-596564909 | 95 | As is | 10 g |
| P-613363026 | 95 | As is | unavailable |
| P-904189453 | 90 | As is | 364 mg |
| P-852532380 | N/A | As is | in stock |
| P-35201566 | 90 | As is | 4.8 kg |
| P-854723902 | 95 | As is | in stock |
| P-500391440 | 97 | As is | by synthesis |
| P-889867957 | 95 | As is | by synthesis |
| P-888440696 | 94 | As is | by resynthesis (? - ? days) |
| P-906904490 | 98 | As is | in stock |
| P-615408203 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.093 |
| logP | 4.6279 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 15.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.8247 |
| Atoms | 22 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
