MCULE-9002672645
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 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-9002672645.sdf |
| SMILES | MCULE-9002672645.smiles |
| Standard InChI | MCULE-9002672645.inchi |
| InChIKey | MCULE-9002672645.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564826 | 98 | As is | in stock |
| P-875724226 | N/A | As is | in stock |
| P-869190193 | 95 | As is | in stock |
| P-505391487 | 98 | As is | in stock |
| P-903053407 | 95 | As is | 5 kg |
| P-901163797 | 98 | As is | in stock |
| P-608448421 | 95 | As is | by synthesis |
| P-606863587 | N/A | As is | in stock |
| P-489199462 | 97 | As is | in stock |
| P-596928752 | 95 | As is | 1000 g |
| P-494328131 | 95 | As is | by resynthesis (? - ? days) |
| P-864109479 | 95 | As is | in stock |
| P-580707971 | 98 | As is | 620 g |
| P-851245457 | 95 | As is | by synthesis |
| P-868556800 | 97 | As is | in stock |
| P-580279515 | 95 | As is | by resynthesis (? - ? days) |
| P-861926661 | 98 | As is | 4.43078 kg |
| P-905329158 | 98 | As is | 250 g |
| P-896531443 | 98 | As is | 128.3 g |
| P-870657961 | N/A | As is | in stock |
| P-454417634 | 95 | As is | 25 g |
| P-608080347 | 95 | As is | unavailable |
| P-613276740 | 95 | As is | by synthesis |
| P-580513586 | 98 | As is | 300 g |
| P-852404201 | N/A | As is | in stock |
| P-895183544 | 95 | As is | in stock |
| P-500382692 | 98 | As is | by synthesis |
| P-885551368 | 95 | As is | by synthesis |
| P-892273811 | 95 | As is | by synthesis |
| P-892298943 | 95 | As is | unavailable |
| P-892350366 | 95 | As is | 2.904 g |
| P-903747300 | 94 | As is | by resynthesis (? - ? days) |
| P-906903981 | 98 | As is | in stock |
| P-611445532 | 90 | As is | in stock |
| P-893997010 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 101.942 |
| logP | 0.2593 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.4766 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

