Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5103426427
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 48 USD | 95 | 7 working days | Get Quote |
| 5 mg | 96 USD | 98 | 11 working days | Get Quote |
| 10 mg | 122 USD | 99 | 15 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-5103426427.sdf |
| SMILES | MCULE-5103426427.smiles |
| Standard InChI | MCULE-5103426427.inchi |
| InChIKey | MCULE-5103426427.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867631441 | 98 | As is | in stock |
| P-875795809 | 98 | As is | in stock |
| P-869374374 | 95 | As is | by resynthesis (? - ? days) |
| P-903147797 | 98 | As is | 150 mg |
| P-893524042 | 90 | As is | 447 mg |
| P-1270368946 | 99 | As is | in stock |
| P-891645247 | N/A | As is | in stock |
| P-865919842 | 99 | As is | 100 mg |
| P-1273258974 | 95 | As is | by resynthesis (? - ? days) |
| P-896023915 | 95 | As is | in stock |
| P-892412984 | 99 | As is | 224 mg |
| P-893228255 | 95 | As is | in stock |
| P-881628668 | 98 | As is | in stock |
| P-887203032 | 95 | As is | by synthesis |
| P-580286033 | N/A | As is | by resynthesis (? - ? days) |
| P-675218736 | 95 | As is | in stock |
| P-896627060 | 95 | As is | by synthesis |
| P-854692882 | 95 | As is | in stock |
| P-871072504 | 95 | As is | in stock |
| P-878642587 | 98 | As is | in stock |
| P-896087760 | 80 | As is | 4 mg |
| P-869178994 | 95 | As is | in stock |
| P-892301030 | 95 | As is | unavailable |
| P-892276990 | 95 | As is | 50 mg |
| P-892353029 | 95 | As is | 50 mg |
| P-906884122 | 98 | As is | by synthesis |
| P-1271677772 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.232 |
| logP | 2.762 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 63.1545 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| 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 |
