Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3211636504-0
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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 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-3211636504-0.sdf |
| SMILES | MCULE-3211636504-0.smiles |
| Standard InChI | MCULE-3211636504-0.inchi |
| InChIKey | MCULE-3211636504-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559130 | 97 | As is | in stock |
| P-597027921 | 95 | As is | unavailable |
| P-1275153202 | 97 | As is | in stock |
| P-1275175647 | 99 | As is | in stock |
| P-1270293537 | 97 | As is | in stock |
| P-606943734 | N/A | As is | in stock |
| P-596944548 | 97 | As is | 1000 g |
| P-1274622401 | 95 | As is | 2 g |
| P-1273457236 | 95 | As is | by resynthesis (? - ? days) |
| P-1273378031 | 95 | As is | by resynthesis (? - ? days) |
| P-596651648 | 95 | As is | by resynthesis (? - ? days) |
| P-864151037 | 95 | As is | in stock |
| P-893231474 | 95 | As is | in stock |
| P-674251880 | 90 | As is | 52 mg |
| P-34554780 | 90 | As is | by synthesis |
| P-580273850 | 95 | As is | by resynthesis (? - ? days) |
| P-1275222551 | 97 | As is | 5 g |
| P-861919647 | 97 | As is | 1.471 kg |
| P-889109975 | 97 | As is | 5 g |
| P-454415363 | 97 | As is | 12.552 g |
| P-454346698 | 97 | As is | 12.552 g |
| P-579723520 | 90 | As is | in stock |
| P-500390706 | 97 | As is | by synthesis |
| P-885518259 | 95 | As is | by synthesis |
| P-18893973 | 90 | As is | in stock |
| P-617402426 | 98 | As is | in stock |
| P-869178346 | 95 | As is | in stock |
| P-892299308 | 95 | As is | unavailable |
| P-892274441 | 95 | As is | 101 mg |
| P-892350871 | 95 | As is | 101 mg |
| P-502369612 | 90 | As is | in stock |
| P-22532721 | 90 | As is | 1000 mg |
| P-611378526 | 90 | As is | in stock |
| P-480150852 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.253 |
| logP | 3.2883 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.2715 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
