MCULE-6238717471
- 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.
-
MCULE-5839155634
- Component type: Main
-
MCULE-7401290635
- Component type: Main
-
MCULE-9215302618
- Component type: Main
-
MCULE-7641049443
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6238717471.sdf |
| SMILES | MCULE-6238717471.smiles |
| Standard InChI | MCULE-6238717471.inchi |
| InChIKey | MCULE-6238717471.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903027844 | 98 | As is | 25 g |
| P-617061875 | 95 | As is | in stock |
| P-489171723 | 97 | As is | in stock |
| P-889286185 | 98 | As is | 400 g |
| P-854788690 | 95 | As is | by synthesis |
| P-903027843 | 98 | As a main component | 2 kg |
| P-905487899 | 95 | As a main component | 100 g |
| P-905481266 | 95 | As a main component | 100 g |
| P-666963982 | 98 | As a main component | 660 g |
| P-590863840 | 98 | As a main component | by synthesis |
| P-505578427 | 98 | As a main component | in stock |
| P-868578391 | 98 | As a main component | in stock |
| P-868648244 | 95 | As a main component | in stock |
| P-1273123107 | 97 | As a main component | 550 g |
| P-889441700 | 97 | As a main component | 3.025 kg |
| P-852604766 | N/A | As a main component | by synthesis |
| P-895253542 | 95 | As a main component | by synthesis |
| P-854836243 | 95 | As a main component | by synthesis |
| P-855399899 | 95 | As a main component | in stock |
| P-906766949 | 98 | As a main component | by synthesis |
| P-867410500 | 95 | As an isomer | by synthesis |
| P-1264914652 | 95 | As an isomer | by synthesis |
| P-904624766 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1275541362 | 90 | As an isomer | by synthesis |
| P-489182476 | 97 | As an isomer | in stock |
| P-1271936231 | 95 | As an isomer | unavailable |
| P-1275477749 | 95 | As an isomer | by synthesis |
| P-591094624 | 95 | As an isomer | by synthesis |
| P-868550853 | 95 | As an isomer | by synthesis |
| P-855376592 | 90 | As an isomer | in stock |
| P-454303015 | 90 | As an isomer | unavailable |
| P-579611523 | 95 | As an isomer | in stock |
| P-852483906 | 97 | As an isomer | by synthesis |
| P-869023049 | 95 | As an isomer | by synthesis |
| P-906793579 | 98 | As an isomer | by synthesis |
| P-1271630318 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.632 |
| logP | 2.2131 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.0244 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

