MCULE-8253440089
- 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 | 98 | 22 working days | Get Quote |
| 5 mg | 8 USD | 98 | 22 working days | Get Quote |
| 10 mg | 8 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-8253440089.sdf |
| SMILES | MCULE-8253440089.smiles |
| Standard InChI | MCULE-8253440089.inchi |
| InChIKey | MCULE-8253440089.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867598129 | 98 | As is | in stock |
| P-875756545 | N/A | As is | in stock |
| P-869181222 | 95 | As is | in stock |
| P-869219062 | 98 | As is | in stock |
| P-505389770 | 98 | As is | in stock |
| P-903091551 | 98 | As is | 1.5 kg |
| P-893574529 | 90 | As is | 1.59586 kg |
| P-606895397 | N/A | As is | in stock |
| P-596932101 | 98 | As is | 1.5 kg |
| P-895927701 | 95 | As is | by resynthesis (? - ? days) |
| P-864152023 | 95 | As is | in stock |
| P-900154469 | 99 | As is | in stock |
| P-868543925 | 99 | As is | in stock |
| P-580726390 | 98 | As is | 140 g |
| P-900267977 | N/A | As is | by resynthesis (? - ? days) |
| P-901458018 | 95 | As is | by synthesis |
| P-901534687 | 95 | As is | by synthesis |
| P-893219076 | 95 | As is | in stock |
| P-505572755 | 98 | As is | in stock |
| P-851257645 | 95 | As is | by synthesis |
| P-580450271 | 99 | As is | in stock |
| P-868595993 | 98 | As is | in stock |
| P-608496417 | 95 | As is | in stock |
| P-905327132 | 98 | As is | 500 g |
| P-861988467 | 98 | As is | 500 g |
| P-870662521 | 98 | As is | in stock |
| P-505536878 | 95 | As is | in stock |
| P-505493117 | 95 | As is | in stock |
| P-890850427 | 95 | As is | in stock |
| P-524442105 | 97 | As is | 481 mg |
| P-852504392 | N/A | As is | in stock |
| P-896626427 | 95 | As is | by synthesis |
| P-854712503 | 95 | As is | in stock |
| P-474023392 | 95 | As is | in stock |
| P-608276799 | 98 | As is | in stock |
| P-13781139 | 92 | As is | 300 mg |
| P-500371850 | 98 | As is | by synthesis |
| P-520009904 | 90 | As is | in stock |
| P-505618033 | 95 | As is | in stock |
| P-579710502 | N/A | As is | in stock |
| P-12300454 | 90 | As is | 587 mg |
| P-611455611 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 384.250 |
| logP | 4.2931 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 64.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 100.5297 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

