MCULE-4994980798
- 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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 USD | 98 | 22 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-4994980798.sdf |
| SMILES | MCULE-4994980798.smiles |
| Standard InChI | MCULE-4994980798.inchi |
| InChIKey | MCULE-4994980798.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867552781 | 98 | As is | in stock |
| P-875711013 | N/A | As is | in stock |
| P-869186519 | 95 | As is | in stock |
| P-579760906 | 98 | As is | in stock |
| P-903037671 | 98 | As is | 500 g |
| P-905485537 | 97 | As is | 100 g |
| P-893522140 | 90 | As is | 4.09731 kg |
| P-580237108 | 95 | As is | by synthesis |
| P-606929611 | N/A | As is | in stock |
| P-489106866 | 97 | As is | in stock |
| P-596942210 | 98 | As is | 200 g |
| P-494350141 | 95 | As is | 84 g |
| P-864106900 | 95 | As is | in stock |
| P-580707116 | 98 | As is | 271 g |
| P-901462247 | 95 | As is | by synthesis |
| P-851270540 | 95 | As is | by synthesis |
| P-868559306 | 98 | As is | in stock |
| P-580408410 | 95 | As is | by resynthesis (? - ? days) |
| P-905339170 | 98 | As is | 75 g |
| P-862000820 | 98 | As is | 1.02437 kg |
| P-888313852 | N/A | As is | in stock |
| P-454388603 | 97 | As is | 100 g |
| P-579622437 | 95 | As is | unavailable |
| P-580500390 | N/A | As is | by synthesis |
| P-852380125 | N/A | As is | in stock |
| P-500408379 | 95 | As is | by synthesis |
| P-885560719 | 95 | As is | by synthesis |
| P-498721430 | 95 | As is | 614.5 g |
| P-906779266 | 98 | As is | by synthesis |
| P-906761883 | 97 | As is | by synthesis |
| P-611521169 | 90 | As is | in stock |
| P-615397291 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 87.916 |
| logP | -0.1308 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 25.6696 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 9 |
| 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 |

