MCULE-4413187529
- 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.
-
1
MCULE-8382078662
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4413187529.sdf |
| SMILES | MCULE-4413187529.smiles |
| Standard InChI | MCULE-4413187529.inchi |
| InChIKey | MCULE-4413187529.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553106 | 98 | As is | in stock |
| P-875711534 | 98 | As is | in stock |
| P-597018285 | 95 | As is | unavailable |
| P-590383973 | 95 | As is | by resynthesis (? - ? days) |
| P-903037980 | 98 | As is | 250 g |
| P-606884481 | N/A | As is | in stock |
| P-489197845 | 97 | As is | in stock |
| P-865905879 | 98 | As is | 30 g |
| P-494323738 | 95 | As is | 912.6 g |
| P-864124383 | 97 | As is | in stock |
| P-617430807 | 98 | As is | 1000 mg |
| P-868554942 | 98 | As is | in stock |
| P-862048512 | 98 | As is | 33 g |
| P-454298265 | 90 | As is | 100 mg |
| P-855399755 | 95 | As is | in stock |
| P-885533561 | 95 | As is | by synthesis |
| P-873281741 | N/A | As is | in stock |
| P-502394737 | 90 | As is | in stock |
| P-611483148 | 90 | As is | in stock |
| P-1271684442 | 98 | As is | in stock |
| P-867576947 | 97 | Main component | in stock |
| P-875737158 | 98 | Main component | in stock |
| P-597023770 | 97 | Main component | unavailable |
| P-1275155356 | 95 | Main component | in stock |
| P-1275196839 | 98 | Main component | in stock |
| P-903067328 | 98 | Main component | 198.88 g |
| P-610989488 | 90 | Main component | 4.97488 kg |
| P-1270392745 | 98 | Main component | in stock |
| P-580243989 | 95 | Main component | by synthesis |
| P-617066204 | 95 | Main component | in stock |
| P-606929445 | N/A | Main component | in stock |
| P-489141834 | 97 | Main component | in stock |
| P-596931025 | 98 | Main component | 198.88 g |
| P-494324997 | 95 | Main component | 334 g |
| P-864100383 | 95 | Main component | in stock |
| P-580701429 | 98 | Main component | 233 g |
| P-901458077 | 95 | Main component | by synthesis |
| P-851261843 | 95 | Main component | by synthesis |
| P-861280735 | 97 | Main component | in stock |
| P-868555529 | 97 | Main component | in stock |
| P-580438697 | 95 | Main component | by resynthesis (? - ? days) |
| P-861984563 | 97 | Main component | 698.88 g |
| P-889114053 | 97 | Main component | 5.8 g |
| P-579522403 | 90 | Main component | 1 mg |
| P-890211237 | 90 | Main component | in stock |
| P-505546594 | 95 | Main component | in stock |
| P-454387627 | 97 | Main component | 25 g |
| P-855998175 | 97 | Main component | 100 mg |
| P-579622464 | 95 | Main component | in stock |
| P-580500746 | N/A | Main component | by synthesis |
| P-1272579781 | 95 | Main component | 10 g |
| P-852441942 | 95 | Main component | by synthesis |
| P-854729803 | 95 | Main component | in stock |
| P-500412489 | 98 | Main component | by synthesis |
| P-859988726 | 95 | Main component | by synthesis |
| P-596771977 | 98 | Main component | 86.2 g |
| P-906906291 | 98 | Main component | in stock |
| P-855011890 | 90 | Main component | in stock |
| P-893656840 | 97 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 177.602 |
| logP | 2.7997 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.2614 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

