MCULE-9552824917
- 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 | 99 | 22 working days | Get Quote |
| 5 mg | 7 USD | 99 | 22 working days | Get Quote |
| 10 mg | 7 USD | 99 | 22 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-2142748895
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9552824917.sdf |
| SMILES | MCULE-9552824917.smiles |
| Standard InChI | MCULE-9552824917.inchi |
| InChIKey | MCULE-9552824917.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553590 | 99 | As is | in stock |
| P-875712124 | N/A | As is | in stock |
| P-869181229 | 98 | As is | in stock |
| P-869264593 | 98 | As is | in stock |
| P-505395970 | 99 | As is | in stock |
| P-903038842 | 98 | As is | 100 g |
| P-1264056889 | 95 | As is | in stock |
| P-580265640 | 95 | As is | by synthesis |
| P-606865893 | N/A | As is | in stock |
| P-489124048 | 97 | As is | in stock |
| P-596942468 | 98 | As is | 1000 g |
| P-580192816 | 98 | As is | in stock |
| P-864110859 | 99 | As is | in stock |
| P-907572411 | 95 | As is | by synthesis |
| P-896540155 | 100 | As is | in stock |
| P-871220217 | N/A | As is | by resynthesis (? - ? days) |
| P-893218920 | 95 | As is | in stock |
| P-893225481 | 95 | As is | in stock |
| P-505572508 | 98 | As is | in stock |
| P-851250929 | 95 | As is | by synthesis |
| P-579481632 | 95 | As is | in stock |
| P-608220338 | 98 | As is | in stock |
| P-505549924 | 95 | As is | in stock |
| P-856009339 | 99 | As is | 100 mg |
| P-131282319 | 90 | As is | 1.974 g |
| P-852467723 | N/A | As is | in stock |
| P-854713243 | 95 | As is | in stock |
| P-1263697928 | 95 | As is | in stock |
| P-474023344 | 95 | As is | in stock |
| P-608273673 | 98 | As is | in stock |
| P-500392419 | 98 | As is | by synthesis |
| P-1263957331 | 90 | As is | in stock |
| P-889867018 | 95 | As is | by synthesis |
| P-579711994 | N/A | As is | in stock |
| P-464632712 | 95 | As is | by synthesis |
| P-892289244 | 95 | As is | 1.003 g |
| P-888634514 | 95 | As is | 1.003 g |
| P-906752265 | 99 | As is | by synthesis |
| P-854959542 | 90 | As is | in stock |
| P-666969059 | 95 | As is | in stock |
| P-899990418 | 95 | As a main component | by synthesis |
| P-869119636 | 95 | As a main component | by synthesis |
| P-888634524 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.842 |
| logP | 5.2567 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 68.3 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 95.974 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |

