MCULE-6614395041
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-6614395041.sdf |
| SMILES | MCULE-6614395041.smiles |
| Standard InChI | MCULE-6614395041.inchi |
| InChIKey | MCULE-6614395041.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867626981 | 95 | As is | in stock |
| P-875789964 | N/A | As is | in stock |
| P-595214725 | 95 | As is | in stock |
| P-903141200 | 95 | As is | 3 g |
| P-889752423 | N/A | As is | in stock |
| P-489132492 | 97 | As is | in stock |
| P-892190104 | 95 | As is | unavailable |
| P-869615122 | 90 | As is | 774 mg |
| P-1263774978 | 95 | As is | by synthesis |
| P-890244114 | 95 | As is | 1.645 g |
| P-492256077 | 95 | As is | in stock |
| P-619932855 | 90 | As is | by synthesis |
| P-448684135 | 90 | As is | 186 mg |
| P-436455579 | 95 | As is | in stock |
| P-425219331 | 90 | As is | in stock |
| P-19842945 | 90 | As is | in stock |
| P-861557903 | 95 | As is | by synthesis |
| P-580763158 | 90 | As is | by synthesis |
| P-580287019 | N/A | As is | by resynthesis (? - ? days) |
| P-579804423 | 90 | As is | in stock |
| P-580089633 | 95 | As is | 39.37 g |
| P-502451682 | 95 | As is | by synthesis |
| P-502823288 | 90 | As is | in stock |
| P-492221735 | 95 | As is | in stock |
| P-12722597 | 95 | As is | 300 mg |
| P-18800112 | 95 | As is | 17.784 g |
| P-454380489 | 95 | As is | 17.784 g |
| P-579693470 | 95 | As is | by resynthesis (? - ? days) |
| P-852386328 | N/A | As is | in stock |
| P-864072363 | 95 | As is | by synthesis |
| P-13715675 | 92 | As is | 300 mg |
| P-856063129 | 95 | As is | in stock |
| P-18829957 | 90 | As is | in stock |
| P-502329797 | 90 | As is | in stock |
| P-22514837 | 90 | As is | 1000 mg |
| P-611564052 | 90 | As is | in stock |
| P-3240922 | 90 | As is | 6.714 g |
| P-893678786 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 143.213 |
| logP | 1.654 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 80.04 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.8934 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| 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 |

