MCULE-4733497119
- 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 | 42 USD | 95 | 10 working days | Get Quote |
| 5 mg | 42 USD | 95 | 10 working days | Get Quote |
| 10 mg | 42 USD | 95 | 10 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-4733497119.sdf |
| SMILES | MCULE-4733497119.smiles |
| Standard InChI | MCULE-4733497119.inchi |
| InChIKey | MCULE-4733497119.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872838235 | 98 | As is | in stock |
| P-875863285 | 98 | As is | in stock |
| P-892792714 | 95 | As is | by resynthesis (? - ? days) |
| P-903318884 | 98 | As is | 500 mg |
| P-610972568 | 90 | As is | 3.3 g |
| P-907308537 | 95 | As is | unavailable |
| P-1270378402 | 95 | As is | in stock |
| P-888827323 | 98 | As is | 500 mg |
| P-1273463221 | 95 | As is | by resynthesis (? - ? days) |
| P-1275495650 | 95 | As is | 1.2 g |
| P-864190263 | 95 | As is | in stock |
| P-887194413 | 95 | As is | by synthesis |
| P-889421065 | 98 | As is | 800 mg |
| P-852580355 | N/A | As is | by synthesis |
| P-1272509994 | 95 | As is | in stock |
| P-906752897 | 97 | As is | by synthesis |
| P-906854677 | 98 | As is | by synthesis |
| P-906769558 | 98 | As is | by synthesis |
| P-906823834 | 95 | As is | by synthesis |
| P-906791335 | 98 | As is | by synthesis |
| P-906848175 | 95 | As is | by synthesis |
| P-906769105 | 97 | As is | by synthesis |
| P-906767340 | 99 | As is | by synthesis |
| P-906897532 | 97 | As is | by synthesis |
| P-1271695370 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.253 |
| logP | 2.8006 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.379 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| 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 |

