Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2401877342-0
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 | 7 USD | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2401877342-0.sdf |
| SMILES | MCULE-2401877342-0.smiles |
| Standard InChI | MCULE-2401877342-0.inchi |
| InChIKey | MCULE-2401877342-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565397 | 98 | As is | in stock |
| P-867473057 | N/A | As is | by synthesis |
| P-867399152 | N/A | As is | by synthesis |
| P-590379792 | 98 | As is | in stock |
| P-851410795 | N/A | As is | by synthesis |
| P-851785154 | N/A | As is | by synthesis |
| P-606941505 | N/A | As is | in stock |
| P-596946849 | 95 | As is | 1000 g |
| P-864152579 | 95 | As is | in stock |
| P-494299818 | 98 | As is | in stock |
| P-890213668 | 90 | As is | in stock |
| P-590336087 | 90 | As is | 1000 mg |
| P-502581594 | 95 | As is | by synthesis |
| P-503472807 | 90 | As is | by synthesis |
| P-524201158 | 98 | As is | 500 g |
| P-617711326 | 95 | As is | 452 mg |
| P-424432358 | 90 | As is | 452 mg |
| P-859991826 | 95 | As is | by synthesis |
| P-892252836 | 95 | As is | by synthesis |
| P-869177324 | 95 | As is | in stock |
| P-892295394 | 95 | As is | unavailable |
| P-892337797 | 95 | As is | 202 mg |
| P-502331965 | 90 | As is | in stock |
| P-906866990 | 98 | As is | by synthesis |
| P-611510950 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.087 |
| logP | -0.1872 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 80.39 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 25.5472 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
