MCULE-1836552591-0
- 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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-1836552591-0.sdf |
| SMILES | MCULE-1836552591-0.smiles |
| Standard InChI | MCULE-1836552591-0.inchi |
| InChIKey | MCULE-1836552591-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627119 | 95 | As is | in stock |
| P-875790110 | N/A | As is | in stock |
| P-869189255 | 95 | As is | in stock |
| P-505397326 | 98 | As is | in stock |
| P-903141336 | 98 | As is | 475 g |
| P-606855790 | N/A | As is | in stock |
| P-489231009 | 97 | As is | in stock |
| P-597003897 | 98 | As is | 475 g |
| P-895935833 | 95 | As is | by resynthesis (? - ? days) |
| P-864115928 | 95 | As is | in stock |
| P-616203712 | 98 | As is | 31 g |
| P-893234035 | 95 | As is | in stock |
| P-878240341 | N/A | As is | in stock |
| P-454730291 | 90 | As is | in stock |
| P-874579092 | 90 | As is | 51 mg |
| P-436472487 | 95 | As is | in stock |
| P-34860814 | 90 | As is | in stock |
| P-851244498 | 95 | As is | by synthesis |
| P-861271701 | 95 | As is | in stock |
| P-868555716 | 97 | As is | in stock |
| P-580292540 | N/A | As is | by resynthesis (? - ? days) |
| P-862012119 | 97 | As is | 529.444 g |
| P-905341168 | 97 | As is | 5 g |
| P-502939261 | 90 | As is | in stock |
| P-492238214 | 95 | As is | in stock |
| P-856006248 | 98 | As is | 100 mg |
| P-524168297 | 98 | As is | 100 g |
| P-31257942 | 90 | As is | unavailable |
| P-860794181 | N/A | As is | by synthesis |
| P-852503110 | N/A | As is | in stock |
| P-428113115 | 90 | As is | 10.03 kg |
| P-854734875 | 95 | As is | in stock |
| P-885558609 | 95 | As is | by synthesis |
| P-19144881 | 90 | As is | in stock |
| P-596785158 | 95 | As is | 62 g |
| P-22636857 | 90 | As is | in stock |
| P-502373921 | 90 | As is | in stock |
| P-888440633 | 94 | As is | by resynthesis (? - ? days) |
| P-906772363 | 98 | As is | by synthesis |
| P-611600316 | 90 | As is | in stock |
| P-25581434 | 90 | As is | 128 mg |
| P-580053910 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.171 |
| logP | 1.9132 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 81.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.0355 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

