MCULE-9844773543
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-9844773543.sdf |
| SMILES | MCULE-9844773543.smiles |
| Standard InChI | MCULE-9844773543.inchi |
| InChIKey | MCULE-9844773543.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582124 | 97 | As is | in stock |
| P-875740558 | N/A | As is | in stock |
| P-597028613 | 95 | As is | in stock |
| P-535625446 | 95 | As is | in stock |
| P-505390674 | 98 | As is | in stock |
| P-903071477 | 98 | As is | 12.5 kg |
| P-905480805 | 97 | As is | 100 g |
| P-580197846 | 95 | As is | 108 g |
| P-606953186 | N/A | As is | in stock |
| P-489113409 | 97 | As is | in stock |
| P-596931319 | 98 | As is | 19.5 kg |
| P-494344755 | 95 | As is | 148.1 g |
| P-864095759 | 97 | As is | in stock |
| P-580721279 | 97 | As is | 1.705 kg |
| P-893223600 | 95 | As is | in stock |
| P-851240853 | 95 | As is | by synthesis |
| P-868557158 | 98 | As is | in stock |
| P-580405836 | 95 | As is | by resynthesis (? - ? days) |
| P-505626791 | 95 | As is | in stock |
| P-861926824 | 97 | As is | 12.9508 kg |
| P-905329218 | 97 | As is | 2.49 kg |
| P-870656180 | 98 | As is | in stock |
| P-505538421 | 95 | As is | in stock |
| P-502495463 | 95 | As is | by synthesis |
| P-502946046 | 90 | As is | in stock |
| P-454401574 | 95 | As is | 500 g |
| P-454319288 | 95 | As is | 98.64 g |
| P-615648615 | 95 | As is | in stock |
| P-579612895 | 95 | As is | 4 kg |
| P-580512327 | 95 | As is | 100 g |
| P-852377393 | N/A | As is | in stock |
| P-855402126 | 95 | As is | in stock |
| P-888883466 | N/A | As is | in stock |
| P-500397700 | 98 | As is | by synthesis |
| P-889879060 | 95 | As is | by synthesis |
| P-498666696 | 98 | As is | 35.5569 kg |
| P-502398472 | 90 | As is | in stock |
| P-906904445 | 97 | As is | in stock |
| P-666972831 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.828 |
| logP | 0.1289 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.9676 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| 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 |

