Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6554635961
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 |
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-6554635961.sdf |
| SMILES | MCULE-6554635961.smiles |
| Standard InChI | MCULE-6554635961.inchi |
| InChIKey | MCULE-6554635961.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627086 | 98 | As is | in stock |
| P-875790612 | N/A | As is | in stock |
| P-597022897 | 96 | As is | in stock |
| P-597020380 | 97 | As is | in stock |
| P-535626611 | 95 | As is | in stock |
| P-505397231 | 98 | As is | in stock |
| P-903141526 | 98 | As is | 200 g |
| P-893503358 | 90 | As is | 1.8866 kg |
| P-907313415 | 95 | As is | by synthesis |
| P-580238853 | 95 | As is | by synthesis |
| P-606855053 | N/A | As is | in stock |
| P-489138530 | 97 | As is | in stock |
| P-596965771 | 98 | As is | 500 g |
| P-866721384 | 95 | As is | by resynthesis (? - ? days) |
| P-864099208 | 95 | As is | in stock |
| P-580697542 | 98 | As is | 91 g |
| P-893222710 | 95 | As is | in stock |
| P-492266468 | 95 | As is | in stock |
| P-454661451 | 90 | As is | in stock |
| P-436475482 | 95 | As is | in stock |
| P-878235830 | 95 | As is | by synthesis |
| P-868595291 | 98 | As is | in stock |
| P-580406323 | 95 | As is | by resynthesis (? - ? days) |
| P-861929548 | 97 | As is | 270.159 g |
| P-905329797 | 97 | As is | 30 g |
| P-863615665 | 97 | As is | by synthesis |
| P-454329896 | 97 | As is | 7.62 g |
| P-454407426 | 97 | As is | 100 g |
| P-579620002 | 95 | As is | unavailable |
| P-580480073 | 97 | As is | by synthesis |
| P-852443469 | N/A | As is | in stock |
| P-519751184 | 97 | As is | 100.5 g |
| P-854735827 | 95 | As is | in stock |
| P-500401752 | 97 | As is | by synthesis |
| P-896076612 | N/A | As is | 36 mg |
| P-502372791 | 90 | As is | in stock |
| P-906771355 | 98 | As is | by synthesis |
| P-611383136 | 90 | As is | in stock |
| P-893639538 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.210 |
| logP | 2.7138 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 45.31 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.2125 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
