MCULE-6426506729
- 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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 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-6426506729.sdf |
| SMILES | MCULE-6426506729.smiles |
| Standard InChI | MCULE-6426506729.inchi |
| InChIKey | MCULE-6426506729.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867594912 | 98 | As is | in stock |
| P-875753886 | N/A | As is | in stock |
| P-881671902 | 95 | As is | in stock |
| P-505389909 | 98 | As is | in stock |
| P-903087308 | 98 | As is | 500 g |
| P-905481393 | 97 | As is | 100 g |
| P-606884206 | N/A | As is | in stock |
| P-489128674 | 97 | As is | in stock |
| P-596957695 | 97 | As is | 1.5 kg |
| P-494348391 | 95 | As is | 30.01 g |
| P-864163394 | 97 | As is | in stock |
| P-580727831 | 97 | As is | 130 g |
| P-893227673 | 95 | As is | in stock |
| P-619929977 | 90 | As is | by synthesis |
| P-868600298 | 98 | As is | in stock |
| P-580419781 | 95 | As is | by resynthesis (? - ? days) |
| P-861934803 | 98 | As is | 2.29107 kg |
| P-505503806 | 95 | As is | in stock |
| P-492217895 | 95 | As is | in stock |
| P-488553084 | 90 | As is | in stock |
| P-617981990 | 90 | As is | 300 mg |
| P-454312567 | 95 | As is | 919 mg |
| P-454399087 | 95 | As is | 100 g |
| P-613281599 | 95 | As is | by synthesis |
| P-580506787 | N/A | As is | by synthesis |
| P-852425619 | N/A | As is | in stock |
| P-895221207 | 95 | As is | in stock |
| P-12461076 | 90 | As is | 23 mg |
| P-454373255 | 92 | As is | in stock |
| P-575514370 | 92 | As is | 300 mg |
| P-500374597 | 98 | As is | by synthesis |
| P-885528668 | 95 | As is | by synthesis |
| P-424841434 | 90 | As is | in stock |
| P-502370617 | 90 | As is | in stock |
| P-22529797 | 90 | As is | 1000 mg |
| P-906779523 | 98 | As is | by synthesis |
| P-611402120 | 90 | As is | in stock |
| P-580449194 | 97 | As is | in stock |
| P-464681747 | 90 | As is | 5 g |
| P-25724342 | 90 | As is | 5 g |
| P-615453207 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 1.9064 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.6205 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| 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 |

