Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4035472855-0
Structure
Show compound
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-4035472855-0.sdf |
| SMILES | MCULE-4035472855-0.smiles |
| Standard InChI | MCULE-4035472855-0.inchi |
| InChIKey | MCULE-4035472855-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567308 | 97 | As is | in stock |
| P-875727021 | 97 | As is | in stock |
| P-1275152204 | 95 | As is | in stock |
| P-1275190764 | 99 | As is | in stock |
| P-903056172 | 97 | As is | 2 kg |
| P-905482603 | 98 | As is | 100 g |
| P-580237887 | 95 | As is | by synthesis |
| P-606872812 | N/A | As is | in stock |
| P-489161357 | 97 | As is | in stock |
| P-596929588 | 97 | As is | 21 kg |
| P-589653671 | 95 | As is | 78 g |
| P-864140456 | 98 | As is | in stock |
| P-15156882 | 90 | As is | 32 mg |
| P-350816 | 90 | As is | 1.874 g |
| P-851297098 | 95 | As is | by synthesis |
| P-861271269 | 95 | As is | in stock |
| P-868591888 | 98 | As is | in stock |
| P-34732490 | 90 | As is | by synthesis |
| P-580434482 | 95 | As is | by resynthesis (? - ? days) |
| P-861918569 | 96 | As is | 37.6528 kg |
| P-905327799 | 96 | As is | 369 g |
| P-870660997 | N/A | As is | in stock |
| P-524167441 | 99 | As is | 25 g |
| P-855993065 | 99 | As is | 100 mg |
| P-579633819 | 98 | As is | by resynthesis (? - ? days) |
| P-31166674 | 90 | As is | unavailable |
| P-580469751 | N/A | As is | by synthesis |
| P-1272581444 | 95 | As is | 400 g |
| P-852444100 | 95 | As is | by synthesis |
| P-854730402 | 95 | As is | in stock |
| P-500376385 | 98 | As is | by synthesis |
| P-885549837 | 95 | As is | by synthesis |
| P-24067028 | 90 | As is | in stock |
| P-596792608 | 95 | As is | 36.0576 kg |
| P-33452713 | 90 | As is | in stock |
| P-906774662 | 98 | As is | by synthesis |
| P-611361235 | 90 | As is | in stock |
| P-611361247 | 90 | As is | in stock |
| P-2146825 | 90 | As is | 127 mg |
| P-1271644302 | 96 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.215 |
| logP | 2.6846 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 42.52 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.869 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| 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 |
