Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1722831263
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 | 4 USD | 95 | 10 working days | Get Quote |
| 5 mg | 4 USD | 95 | 10 working days | Get Quote |
| 10 mg | 4 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1722831263.sdf |
| SMILES | MCULE-1722831263.smiles |
| Standard InChI | MCULE-1722831263.inchi |
| InChIKey | MCULE-1722831263.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576795 | 98 | As is | in stock |
| P-875736725 | N/A | As is | in stock |
| P-535627229 | 98 | As is | in stock |
| P-505347760 | 99 | As is | in stock |
| P-903066447 | 98 | As is | 5.5 kg |
| P-901165843 | 98 | As is | in stock |
| P-580200355 | 95 | As is | 10 g |
| P-851928663 | N/A | As is | in stock |
| P-606882918 | N/A | As is | in stock |
| P-489169185 | 97 | As is | in stock |
| P-596930979 | 98 | As is | 5.5 kg |
| P-864195843 | 95 | As is | in stock |
| P-481169039 | 95 | As is | 12 g |
| P-580726018 | 98 | As is | 1.25 kg |
| P-893225701 | 95 | As is | in stock |
| P-619926657 | 90 | As is | by synthesis |
| P-19948634 | 90 | As is | in stock |
| P-868646301 | 98 | As is | in stock |
| P-34454639 | 90 | As is | by synthesis |
| P-861969769 | 98 | As is | 1.286 kg |
| P-905333908 | 98 | As is | 1.286 kg |
| P-870656679 | N/A | As is | in stock |
| P-890204530 | 90 | As is | 21.76 g |
| P-579484138 | 90 | As is | 21.76 g |
| P-454342368 | 95 | As is | 105 mg |
| P-454411617 | 95 | As is | 100 g |
| P-579615641 | 95 | As is | 700 g |
| P-856042566 | 90 | As is | 10 g |
| P-31177913 | 90 | As is | 10 g |
| P-613281684 | 95 | As is | by synthesis |
| P-580486649 | 97 | As is | by synthesis |
| P-852443750 | N/A | As is | in stock |
| P-855402535 | 95 | As is | in stock |
| P-500373815 | 99 | As is | by synthesis |
| P-885547025 | 95 | As is | by synthesis |
| P-34148864 | 90 | As is | in stock |
| P-22823984 | 90 | As is | in stock |
| P-502365841 | 90 | As is | in stock |
| P-888440589 | 94 | As is | by resynthesis (? - ? days) |
| P-906768500 | 98 | As is | by synthesis |
| P-1341227 | 90 | As is | 4.013 g |
| P-480859222 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.591 |
| logP | 1.9671 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.9968 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
