Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2488959319
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 53 USD | 98 | 16 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-2488959319.sdf |
| SMILES | MCULE-2488959319.smiles |
| Standard InChI | MCULE-2488959319.inchi |
| InChIKey | MCULE-2488959319.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611506 | 98 | As is | in stock |
| P-875771140 | N/A | As is | in stock |
| P-595220891 | 98 | As is | in stock |
| P-903112240 | 95 | As is | 100 mg |
| P-610973935 | 90 | As is | 15.411 g |
| P-851389653 | N/A | As is | by synthesis |
| P-868829574 | 97 | As is | 100 mg |
| P-580192862 | 98 | As is | in stock |
| P-889510853 | 95 | As is | by synthesis |
| P-590718785 | 97 | As is | by synthesis |
| P-579722126 | 95 | As is | 2.12 g |
| P-860798360 | 98 | As is | in stock |
| P-580451390 | 98 | As is | in stock |
| P-887187165 | 95 | As is | by synthesis |
| P-579478511 | 95 | As is | in stock |
| P-870661568 | 98 | As is | in stock |
| P-675216224 | 95 | As is | in stock |
| P-855965669 | 95 | As is | 1000 mg |
| P-579629292 | 98 | As is | unavailable |
| P-852463412 | N/A | As is | in stock |
| P-1263155415 | 95 | As is | by synthesis |
| P-854713559 | 95 | As is | in stock |
| P-584620451 | 95 | As is | in stock |
| P-619673718 | 98 | As is | in stock |
| P-594275501 | 95 | As is | by synthesis |
| P-892298358 | 95 | As is | unavailable |
| P-888658107 | 95 | As is | 149 mg |
| P-596714866 | 90 | As is | 20 mg |
| P-855053143 | 90 | As is | in stock |
| P-480851893 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 402.436 |
| logP | 3.8586 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 102.29 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.4293 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 26 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
