Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1242395876
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 | 125 USD | 90 | 17 working days | Get Quote |
| 5 mg | 148 USD | 90 | 17 working days | Get Quote |
| 10 mg | 165 USD | 90 | 17 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.
-
MCULE-5595596441
- Component type: Main
-
MCULE-8481326206
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1242395876.sdf |
| SMILES | MCULE-1242395876.smiles |
| Standard InChI | MCULE-1242395876.inchi |
| InChIKey | MCULE-1242395876.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852108524 | N/A | As is | by synthesis |
| P-875815355 | N/A | As is | in stock |
| P-590356057 | 95 | As is | in stock |
| P-893455605 | 90 | As is | 3.807 g |
| P-851712912 | N/A | As is | by synthesis |
| P-596503738 | 90 | As is | 1000 mg |
| P-870025545 | 90 | As is | 1000 mg |
| P-591061233 | 95 | As is | by synthesis |
| P-577179161 | 90 | As is | by synthesis |
| P-502471356 | 95 | As is | by synthesis |
| P-502807730 | 90 | As is | in stock |
| P-492219718 | 95 | As is | in stock |
| P-500223372 | 96 | As is | in stock |
| P-14063150 | 95 | As is | unavailable |
| P-852388266 | N/A | As is | in stock |
| P-895293942 | 95 | As is | by synthesis |
| P-491072366 | 95 | As is | by synthesis |
| P-23343034 | 90 | As is | in stock |
| P-502340249 | 90 | As is | in stock |
| P-903663405 | 94 | As is | by resynthesis (? - ? days) |
| P-611575328 | 90 | As is | in stock |
| P-886463211 | N/A | As a main component | by synthesis |
| P-131234454 | 90 | As a main component | 842 mg |
| P-901962951 | 95 | As a main component | 842 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 171.283 |
| logP | 0.5472 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 32.5 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.5924 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 21 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
