MCULE-2437459991
- 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 | 99 | 20 working days | Get Quote |
| 5 mg | 25 USD | 99 | 20 working days | Get Quote |
| 10 mg | 25 USD | 99 | 20 working days | Get Quote |
- 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-2437459991.sdf |
| SMILES | MCULE-2437459991.smiles |
| Standard InChI | MCULE-2437459991.inchi |
| InChIKey | MCULE-2437459991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890145238 | N/A | As is | in stock |
| P-590416876 | 95 | As is | in stock |
| P-903070510 | 99 | As is | 40 g |
| P-851531995 | N/A | As is | by synthesis |
| P-489197386 | 97 | As is | in stock |
| P-596988464 | 99 | As is | 35 g |
| P-864175247 | 96 | As is | in stock |
| P-590860501 | 95 | As is | by synthesis |
| P-454705610 | 90 | As is | in stock |
| P-4942960 | 90 | As is | 13 mg |
| P-113804 | 90 | As is | 896 mg |
| P-436456676 | 95 | As is | 50 g |
| P-868611312 | 95 | As is | in stock |
| P-34674466 | 90 | As is | in stock |
| P-580442992 | 95 | As is | by resynthesis (? - ? days) |
| P-583850309 | 90 | As is | in stock |
| P-596567596 | 95 | As is | 5 g |
| P-852429337 | N/A | As is | in stock |
| P-854920938 | 95 | As is | by synthesis |
| P-581758822 | 92 | As is | in stock |
| P-885547739 | 95 | As is | by synthesis |
| P-19790705 | 90 | As is | in stock |
| P-22579273 | 90 | As is | in stock |
| P-873215724 | 90 | As is | in stock |
| P-906758699 | 99 | As is | by synthesis |
| P-611365757 | 90 | As is | in stock |
| P-1889081 | 90 | As is | 135 mg |
| P-615405047 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.219 |
| logP | 3.9484 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 71.84 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.1044 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

