MCULE-2048309802
- 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 | 25 USD | 97 | 20 working days | Get Quote |
| 5 mg | 25 USD | 97 | 20 working days | Get Quote |
| 10 mg | 25 USD | 97 | 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-2048309802.sdf |
| SMILES | MCULE-2048309802.smiles |
| Standard InChI | MCULE-2048309802.inchi |
| InChIKey | MCULE-2048309802.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639932 | 98 | As is | in stock |
| P-875805915 | 98 | As is | in stock |
| P-1275167694 | 98 | As is | in stock |
| P-903163479 | 98 | As is | 50 g |
| P-1270299760 | 98 | As is | in stock |
| P-901661852 | N/A | As is | in stock |
| P-596989989 | 97 | As is | 500 g |
| P-589660758 | 95 | As is | by resynthesis (? - ? days) |
| P-864163185 | 95 | As is | in stock |
| P-868600887 | 97 | As is | in stock |
| P-905348928 | 97 | As is | 5.1 g |
| P-862048501 | 97 | As is | 69.045 g |
| P-505513816 | 95 | As is | in stock |
| P-596563102 | 97 | As is | 1000 mg |
| P-1279042186 | N/A | As is | by synthesis |
| P-1279644635 | N/A | As is | in stock |
| P-1267010329 | 95 | As is | in stock |
| P-1274336606 | 95 | As is | unavailable |
| P-1274348500 | 95 | As is | 91 mg |
| P-1274358882 | 95 | As is | 91 mg |
| P-611374962 | 90 | As is | in stock |
| P-912627481 | 90 | As is | in stock |
| P-912627337 | 90 | As is | unavailable |
| P-912627371 | 90 | As is | unavailable |
| P-912627396 | 90 | As is | unavailable |
| P-912627428 | 90 | As is | unavailable |
| P-912627452 | 90 | As is | unavailable |
| P-1271702144 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.184 |
| logP | 2.1436 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.468 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| 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 |

