MCULE-2983978347
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-2983978347.sdf |
| SMILES | MCULE-2983978347.smiles |
| Standard InChI | MCULE-2983978347.inchi |
| InChIKey | MCULE-2983978347.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553470 | 99 | As is | in stock |
| P-875711923 | N/A | As is | in stock |
| P-590367295 | 98 | As is | in stock |
| P-903038522 | 95 | As is | 2.5 g |
| P-893433085 | 90 | As is | by synthesis |
| P-851900226 | N/A | As is | by synthesis |
| P-889506180 | 95 | As is | by synthesis |
| P-591061317 | 95 | As is | by synthesis |
| P-861516229 | 95 | As is | by synthesis |
| P-569207711 | 90 | As is | in stock |
| P-569436104 | 95 | As is | 11.95 g |
| P-890204297 | 90 | As is | in stock |
| P-579483859 | 90 | As is | 802 mg |
| P-502453882 | 95 | As is | by synthesis |
| P-502597061 | 90 | As is | in stock |
| P-492240590 | 95 | As is | in stock |
| P-12413760 | 95 | As is | 284 mg |
| P-18791126 | 95 | As is | 168.155 g |
| P-454377218 | 95 | As is | 168.155 g |
| P-852235774 | 90 | As is | 95 mg |
| P-852412338 | N/A | As is | in stock |
| P-35280518 | 90 | As is | 2.414 kg |
| P-854917759 | 95 | As is | by synthesis |
| P-620219787 | 95 | As is | 11.95 g |
| P-26406705 | 90 | As is | 11.95 g |
| P-674653538 | 92 | As is | 284 mg |
| P-856065223 | 95 | As is | in stock |
| P-519818322 | 90 | As is | in stock |
| P-502404858 | 90 | As is | in stock |
| P-23299809 | 94 | As is | by resynthesis (? - ? days) |
| P-855214092 | 90 | As is | in stock |
| P-893752175 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.705 |
| logP | 3.52958 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 64.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.082 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |

