Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1835289527
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 14 USD | 98 | 15 working days | Get Quote |
| 10 mg | 14 USD | 98 | 15 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-1835289527.sdf |
| SMILES | MCULE-1835289527.smiles |
| Standard InChI | MCULE-1835289527.inchi |
| InChIKey | MCULE-1835289527.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867607856 | 98 | As is | in stock |
| P-875766910 | N/A | As is | in stock |
| P-903104488 | 98 | As is | 35 g |
| P-1264051094 | 95 | As is | in stock |
| P-893617797 | 90 | As is | 112.345 g |
| P-606869747 | N/A | As is | in stock |
| P-489141028 | 97 | As is | in stock |
| P-860056366 | 98 | As is | by synthesis |
| P-580699902 | 98 | As is | 30.642 g |
| P-893234157 | 95 | As is | in stock |
| P-580450344 | 98 | As is | in stock |
| P-608497482 | 95 | As is | in stock |
| P-505509047 | 95 | As is | in stock |
| P-856014246 | 90 | As is | 250 mg |
| P-896626912 | 95 | As is | by synthesis |
| P-854718651 | 95 | As is | in stock |
| P-584621831 | 95 | As is | in stock |
| P-608274542 | 98 | As is | in stock |
| P-888841460 | N/A | As is | by synthesis |
| P-500405457 | 98 | As is | by synthesis |
| P-889867755 | 95 | As is | by synthesis |
| P-579712011 | N/A | As is | in stock |
| P-869107589 | 95 | As is | by synthesis |
| P-892286200 | 95 | As is | unavailable |
| P-888626625 | 95 | As is | 203 mg |
| P-855027208 | 90 | As is | in stock |
| P-855027210 | 90 | As is | in stock |
| P-855027214 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 242.232 |
| logP | 0.157 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 68.68 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.468 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
