MCULE-4178268069
- 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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
-
MCULE-4958130450
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4178268069.sdf |
| SMILES | MCULE-4178268069.smiles |
| Standard InChI | MCULE-4178268069.inchi |
| InChIKey | MCULE-4178268069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639308 | 95 | As is | in stock |
| P-867661360 | 97 | As is | in stock |
| P-875804472 | N/A | As is | in stock |
| P-875830128 | N/A | As is | in stock |
| P-597015044 | 97 | As is | in stock |
| P-869183917 | 95 | As is | in stock |
| P-579761816 | 98 | As is | in stock |
| P-903205453 | 97 | As is | 100 g |
| P-903162084 | 98 | As is | 125 g |
| P-610984698 | 90 | As is | 2.34775 kg |
| P-901163878 | 98 | As is | in stock |
| P-580237499 | 95 | As is | by synthesis |
| P-606951328 | N/A | As is | in stock |
| P-489138277 | 97 | As is | in stock |
| P-596968488 | 95 | As is | 75 g |
| P-596972632 | 97 | As is | 10 kg |
| P-866726198 | 95 | As is | 485 g |
| P-864093433 | 98 | As is | in stock |
| P-889739056 | 95 | As is | 27 g |
| P-580722019 | 97 | As is | 97 g |
| P-901450841 | 95 | As is | by synthesis |
| P-851244490 | 95 | As is | by synthesis |
| P-868579455 | 98 | As is | in stock |
| P-580417816 | 95 | As is | by resynthesis (? - ? days) |
| P-905330233 | 98 | As is | 86 g |
| P-861934050 | 98 | As is | 1.33775 kg |
| P-588280863 | 97 | As is | in stock |
| P-505526674 | 95 | As is | in stock |
| P-502528729 | 95 | As is | by synthesis |
| P-18819587 | 97 | As is | 1000 mg |
| P-454398675 | 97 | As is | 25 g |
| P-579612937 | 95 | As is | 250 g |
| P-613280188 | 95 | As is | by synthesis |
| P-580512658 | 97 | As is | 124.5 g |
| P-852388753 | N/A | As is | in stock |
| P-854740808 | 95 | As is | in stock |
| P-888885958 | N/A | As is | in stock |
| P-500395916 | 98 | As is | by synthesis |
| P-500405469 | N/A | As is | by synthesis |
| P-856063600 | 95 | As is | in stock |
| P-34211376 | 90 | As is | in stock |
| P-596735994 | 90 | As is | 282 g |
| P-502330238 | 90 | As is | in stock |
| P-906774761 | 97 | As is | by synthesis |
| P-611408905 | 90 | As is | in stock |
| P-893948710 | 95 | As is | in stock |
| P-619934325 | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 140.183 |
| logP | 2.1355 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 52.05 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.1774 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

