Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5875431511
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 | 18 USD | 97 | 20 working days | Get Quote |
| 5 mg | 18 USD | 97 | 20 working days | Get Quote |
| 10 mg | 18 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-5875431511.sdf |
| SMILES | MCULE-5875431511.smiles |
| Standard InChI | MCULE-5875431511.inchi |
| InChIKey | MCULE-5875431511.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867618810 | 97 | As is | in stock |
| P-875780558 | 97 | As is | in stock |
| P-1275141851 | 97 | As is | in stock |
| P-903125730 | 97 | As is | 12.25 g |
| P-893513927 | 90 | As is | 181.786 g |
| P-1270354926 | 97 | As is | in stock |
| P-851944299 | N/A | As is | in stock |
| P-619157062 | 97 | As is | 12.25 g |
| P-864158365 | 95 | As is | in stock |
| P-615699329 | 97 | As is | 2.1 g |
| P-851329499 | 95 | As is | by synthesis |
| P-868600030 | 96 | As is | in stock |
| P-580327656 | 95 | As is | by resynthesis (? - ? days) |
| P-905355601 | 97 | As is | 1000 mg |
| P-889289306 | 97 | As is | 101.285 g |
| P-590339722 | 90 | As is | 1000 mg |
| P-890217293 | 90 | As is | in stock |
| P-454418475 | 95 | As is | 7.285 g |
| P-454355044 | 95 | As is | 7.285 g |
| P-1272589802 | 95 | As is | 25 g |
| P-852470486 | 95 | As is | by synthesis |
| P-854753956 | 95 | As is | in stock |
| P-888887201 | N/A | As is | in stock |
| P-859994221 | 95 | As is | by synthesis |
| P-906809095 | 98 | As is | by synthesis |
| P-906834720 | 98 | As is | by synthesis |
| P-906842537 | 95 | As is | by synthesis |
| P-906756023 | 97 | As is | by synthesis |
| P-611345391 | 90 | As is | in stock |
| P-1271578823 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.952 |
| logP | -0.3975 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.0021 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
