Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1057471873-0
Structure
Show compound
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-1057471873-0.sdf |
| SMILES | MCULE-1057471873-0.smiles |
| Standard InChI | MCULE-1057471873-0.inchi |
| InChIKey | MCULE-1057471873-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630005 | 95 | As is | in stock |
| P-875793895 | N/A | As is | in stock |
| P-590357508 | 95 | As is | in stock |
| P-903145454 | 95 | As is | 2.5 g |
| P-851531537 | N/A | As is | by synthesis |
| P-489197278 | 97 | As is | in stock |
| P-596514690 | 90 | As is | 81 mg |
| P-596411109 | 90 | As is | 81 mg |
| P-889808662 | 95 | As is | by synthesis |
| P-590890350 | 95 | As is | by synthesis |
| P-492246950 | 95 | As is | in stock |
| P-5198026 | 90 | As is | 50 mg |
| P-454695093 | 90 | As is | in stock |
| P-607760872 | 90 | As is | 28 mg |
| P-436447673 | 95 | As is | 10 g |
| P-20009687 | 90 | As is | in stock |
| P-868634950 | 95 | As is | in stock |
| P-34793467 | 90 | As is | in stock |
| P-502448135 | 95 | As is | by synthesis |
| P-596589187 | 90 | As is | 5 g |
| P-14216612 | 90 | As is | 414 mg |
| P-852397928 | N/A | As is | in stock |
| P-854917958 | 95 | As is | by synthesis |
| P-492286729 | 95 | As is | 1.848 g |
| P-13142050 | 90 | As is | 1.848 g |
| P-885524647 | 95 | As is | by synthesis |
| P-23851643 | 90 | As is | in stock |
| P-12735035 | 90 | As is | unavailable |
| P-22790886 | 90 | As is | in stock |
| P-873229557 | 90 | As is | in stock |
| P-888429826 | 94 | As is | by resynthesis (? - ? days) |
| P-855232096 | 90 | As is | in stock |
| P-25600580 | 90 | As is | 3.305 g |
| P-3230710 | 90 | As is | 3.305 g |
| P-893671162 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.332 |
| logP | 4.2027 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.1699 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
