Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1841047702-0
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 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-1841047702-0.sdf |
| SMILES | MCULE-1841047702-0.smiles |
| Standard InChI | MCULE-1841047702-0.inchi |
| InChIKey | MCULE-1841047702-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584310 | 95 | As is | in stock |
| P-875741900 | 95 | As is | in stock |
| P-590384844 | 99 | As is | by resynthesis (? - ? days) |
| P-903072400 | 98 | As is | 50 g |
| P-1270383664 | 95 | As is | in stock |
| P-851927380 | N/A | As is | in stock |
| P-489110411 | 97 | As is | in stock |
| P-865909799 | 98 | As is | 20 g |
| P-494334808 | 95 | As is | by resynthesis (? - ? days) |
| P-864096375 | 95 | As is | in stock |
| P-617431656 | 95 | As is | 6 g |
| P-4618965 | 90 | As is | 5 mg |
| P-577179393 | 90 | As is | by synthesis |
| P-868599337 | 98 | As is | in stock |
| P-575331856 | 95 | As is | in stock |
| P-861969448 | 98 | As is | 17.25 g |
| P-863615592 | 97 | As is | by synthesis |
| P-502449111 | 95 | As is | by synthesis |
| P-492218073 | 95 | As is | in stock |
| P-502674698 | 90 | As is | in stock |
| P-12703427 | 92 | As is | 287 mg |
| P-454304644 | 90 | As is | 1.066 g |
| P-856044756 | 90 | As is | unavailable |
| P-31144487 | 90 | As is | 500 mg |
| P-467883681 | 95 | As is | by synthesis |
| P-14083939 | 90 | As is | 49 mg |
| P-580497551 | 95 | As is | by synthesis |
| P-1272564415 | N/A | As is | 5 g |
| P-852381956 | N/A | As is | by synthesis |
| P-35279825 | 90 | As is | in stock |
| P-445292110 | 92 | As is | 287 mg |
| P-18975234 | 90 | As is | in stock |
| P-502326772 | 90 | As is | in stock |
| P-22485006 | 90 | As is | 95 mg |
| P-1272901784 | 94 | As is | by resynthesis (? - ? days) |
| P-906862907 | 95 | As is | by synthesis |
| P-611373951 | 90 | As is | in stock |
| P-3240924 | 90 | As is | 1.972 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.672 |
| logP | 3.0219 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 80.04 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.7594 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
