MCULE-2072698467
- 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-2072698467.sdf |
| SMILES | MCULE-2072698467.smiles |
| Standard InChI | MCULE-2072698467.inchi |
| InChIKey | MCULE-2072698467.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867546257 | 98 | As is | in stock |
| P-875702695 | N/A | As is | in stock |
| P-535627137 | 95 | As is | in stock |
| P-505347988 | 98 | As is | in stock |
| P-869276815 | 99 | As is | in stock |
| P-903026891 | 98 | As is | 300 g |
| P-905477802 | 98 | As is | 1000 g |
| P-580201084 | 95 | As is | 25 g |
| P-606928169 | N/A | As is | in stock |
| P-489216283 | 97 | As is | in stock |
| P-489132660 | 97 | As is | in stock |
| P-596939612 | 98 | As is | 3 kg |
| P-494347523 | 95 | As is | 136 g |
| P-864116081 | 97 | As is | in stock |
| P-481169774 | 95 | As is | 2.5 g |
| P-580733726 | 98 | As is | 2.9 kg |
| P-893231919 | 95 | As is | in stock |
| P-427940784 | 90 | As is | 1 mg |
| P-454633053 | 90 | As is | in stock |
| P-448678964 | 90 | As is | 1.292 kg |
| P-425208533 | 90 | As is | in stock |
| P-516973687 | 90 | As is | in stock |
| P-861268425 | 95 | As is | in stock |
| P-868577670 | 98 | As is | in stock |
| P-580283918 | N/A | As is | by resynthesis (? - ? days) |
| P-579719733 | N/A | As is | by resynthesis (? - ? days) |
| P-579803044 | 90 | As is | in stock |
| P-905333312 | 98 | As is | 460 g |
| P-861967098 | 98 | As is | 460 g |
| P-870655532 | N/A | As is | in stock |
| P-890206160 | 90 | As is | 10.22 g |
| P-579489016 | 90 | As is | 10.22 g |
| P-505491681 | 95 | As is | in stock |
| P-502469161 | 95 | As is | by synthesis |
| P-580006404 | 95 | As is | in stock |
| P-502824329 | 90 | As is | in stock |
| P-488545030 | 90 | As is | in stock |
| P-13989385 | 95 | As is | 300 mg |
| P-856010184 | 95 | As is | 3.118 g |
| P-856043920 | 90 | As is | unavailable |
| P-31197342 | 90 | As is | unavailable |
| P-579754651 | 95 | As is | by synthesis |
| P-601061827 | 90 | As is | 23 mg |
| P-580514553 | 96 | As is | 900 g |
| P-852383093 | N/A | As is | in stock |
| P-519751207 | 97 | As is | unavailable |
| P-35256906 | 97 | As is | 2.394 kg |
| P-904721560 | 90 | As is | in stock |
| P-1263697976 | 95 | As is | in stock |
| P-854693494 | 95 | As is | in stock |
| P-12842842 | 90 | As is | 352 mg |
| P-492283622 | 95 | As is | 1000 mg |
| P-888867850 | N/A | As is | in stock |
| P-454365275 | 92 | As is | in stock |
| P-445353644 | 92 | As is | 300 mg |
| P-500393398 | 98 | As is | by synthesis |
| P-885515910 | 95 | As is | by synthesis |
| P-18905249 | 90 | As is | in stock |
| P-617403588 | N/A | As is | in stock |
| P-896083225 | N/A | As is | 51.137 g |
| P-904098362 | 98 | As is | 3.27 kg |
| P-502329350 | 90 | As is | in stock |
| P-888438632 | 94 | As is | by resynthesis (? - ? days) |
| P-906760402 | 98 | As is | by synthesis |
| P-611383122 | 90 | As is | in stock |
| P-615392344 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.157 |
| logP | 1.8661 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.258 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

