Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2452823217
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 | 25 USD | 98 | 22 working days | Get Quote |
| 5 mg | 60 USD | 98 | 22 working days | Get Quote |
| 10 mg | 95 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.
-
MCULE-2904325399
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2452823217.sdf |
| SMILES | MCULE-2452823217.smiles |
| Standard InChI | MCULE-2452823217.inchi |
| InChIKey | MCULE-2452823217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616224 | 98 | As is | in stock |
| P-875777188 | N/A | As is | in stock |
| P-505394587 | 95 | As is | in stock |
| P-590399533 | 98 | As is | in stock |
| P-903120077 | 98 | As is | 150 mg |
| P-1264047926 | 95 | As is | in stock |
| P-893517474 | 90 | As is | 6.479 g |
| P-606861205 | N/A | As is | in stock |
| P-489235253 | 97 | As is | in stock |
| P-865915906 | 98 | As is | 150 mg |
| P-580195378 | 98 | As is | in stock |
| P-864173808 | 98 | As is | in stock |
| P-868545920 | 99 | As is | in stock |
| P-901474502 | 95 | As is | by synthesis |
| P-851268622 | 95 | As is | by synthesis |
| P-860798808 | 98 | As is | in stock |
| P-861370653 | 95 | As is | by synthesis |
| P-579479501 | 95 | As is | in stock |
| P-675215476 | 95 | As is | in stock |
| P-524166722 | 95 | As is | 100 mg |
| P-854716325 | 95 | As is | in stock |
| P-584620638 | 95 | As is | in stock |
| P-608271895 | 98 | As is | in stock |
| P-889882103 | 95 | As is | by synthesis |
| P-579712224 | N/A | As is | in stock |
| P-869123861 | 95 | As is | by synthesis |
| P-892290210 | 95 | As is | unavailable |
| P-888637825 | 95 | As is | 153 mg |
| P-868492767 | 95 | As is | in stock |
| P-869420689 | 95 | As a main component | by synthesis |
| P-868544689 | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 406.482 |
| logP | 4.4149 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 58.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 130.5187 |
| Atoms | 53 |
| Rings | 6 |
| Heavy atoms | 31 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
