Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1021469190
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-1021469190.sdf |
| SMILES | MCULE-1021469190.smiles |
| Standard InChI | MCULE-1021469190.inchi |
| InChIKey | MCULE-1021469190.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547182 | 98 | As is | in stock |
| P-875703967 | 98 | As is | in stock |
| P-890249493 | 97 | As is | by synthesis |
| P-1275193379 | 99 | As is | in stock |
| P-1275158706 | 95 | As is | in stock |
| P-903028746 | 98 | As is | 2.5 kg |
| P-905484251 | 98 | As is | 10 g |
| P-1270301595 | 98 | As is | in stock |
| P-580237530 | 95 | As is | by synthesis |
| P-606860579 | N/A | As is | in stock |
| P-489137375 | 97 | As is | in stock |
| P-596940040 | 95 | As is | 5 kg |
| P-494319494 | 95 | As is | 46 g |
| P-864106976 | 95 | As is | in stock |
| P-580722218 | 98 | As is | 246 g |
| P-901453570 | 95 | As is | by synthesis |
| P-851240694 | 95 | As is | by synthesis |
| P-868602920 | 98 | As is | in stock |
| P-580420745 | 95 | As is | by resynthesis (? - ? days) |
| P-905328893 | 95 | As is | 885 g |
| P-505521615 | 95 | As is | in stock |
| P-524168138 | 98 | As is | 5 g |
| P-31177676 | 90 | As is | 500 mg |
| P-580514430 | 99 | As is | in stock |
| P-1272567252 | 99 | As is | 20 g |
| P-852388510 | 99 | As is | by synthesis |
| P-854725484 | 95 | As is | in stock |
| P-500378727 | 98 | As is | by synthesis |
| P-885547310 | 95 | As is | by synthesis |
| P-596745060 | 98 | As is | 394.9 g |
| P-906760252 | 98 | As is | by synthesis |
| P-611366404 | 90 | As is | in stock |
| P-611464636 | 90 | As is | in stock |
| P-1271646730 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.686 |
| logP | 4.4022 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 101.17 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 61.764 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 3 |
| Heteroatoms | 15 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 7 |
| 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 |
