MCULE-1557671934
- 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 | 11 USD | N/A | 9 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 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-1557671934.sdf |
| SMILES | MCULE-1557671934.smiles |
| Standard InChI | MCULE-1557671934.inchi |
| InChIKey | MCULE-1557671934.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875757323 | N/A | As is | in stock |
| P-903092244 | 98 | As is | 25 g |
| P-489192477 | 97 | As is | in stock |
| P-25943677 | 70 | As is | 100 mg |
| P-900154438 | 98 | As is | in stock |
| P-580721675 | 98 | As is | 7.45 g |
| P-900267564 | N/A | As is | by resynthesis (? - ? days) |
| P-452655512 | 98 | As is | in stock |
| P-851278372 | 95 | As is | by synthesis |
| P-868595350 | 98 | As is | in stock |
| P-579476773 | 95 | As is | in stock |
| P-896629904 | 95 | As is | by synthesis |
| P-854690688 | 95 | As is | in stock |
| P-474024226 | 95 | As is | in stock |
| P-608278143 | 98 | As is | in stock |
| P-867599376 | 97 | As an isomer | in stock |
| P-869186341 | 95 | As an isomer | in stock |
| P-505389514 | 98 | As an isomer | in stock |
| P-505391903 | 98 | As an isomer | in stock |
| P-893524558 | 90 | As an isomer | 137.577 g |
| P-606938990 | N/A | As an isomer | in stock |
| P-596958928 | 98 | As an isomer | 75 g |
| P-580195992 | 98 | As an isomer | in stock |
| P-895957961 | 95 | As an isomer | unavailable |
| P-864145819 | 95 | As an isomer | in stock |
| P-893232121 | 95 | As an isomer | in stock |
| P-905323142 | 97 | As an isomer | 1000 mg |
| P-862093852 | 97 | As an isomer | 60.724 g |
| P-500419067 | N/A | As an isomer | in stock |
| P-675219681 | 95 | As an isomer | in stock |
| P-524444341 | 97 | As an isomer | 982 mg |
| P-500412777 | 97 | As an isomer | by synthesis |
| P-885560306 | 95 | As an isomer | by synthesis |
| P-579710929 | N/A | As an isomer | in stock |
| P-892213843 | 95 | As an isomer | by synthesis |
| P-869175433 | 95 | As an isomer | in stock |
| P-892286698 | 95 | As an isomer | 983 mg |
| P-892310215 | 95 | As an isomer | 983 mg |
| P-873223286 | 90 | As an isomer | in stock |
| P-33163261 | 90 | As an isomer | 222 mg |
| P-906906018 | 98 | As an isomer | in stock |
| P-611365937 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.252 |
| logP | 2.6995 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.3175 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

