Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6079352869
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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-6079352869.sdf |
| SMILES | MCULE-6079352869.smiles |
| Standard InChI | MCULE-6079352869.inchi |
| InChIKey | MCULE-6079352869.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534643 | 98 | As is | in stock |
| P-875688767 | N/A | As is | in stock |
| P-597021257 | 97 | As is | in stock |
| P-597018706 | 95 | As is | in stock |
| P-590401232 | 95 | As is | in stock |
| P-903010052 | 98 | As is | 125 g |
| P-893509150 | 90 | As is | 411.37 g |
| P-866096945 | 95 | As is | 18.29 g |
| P-901166016 | 98 | As is | in stock |
| P-580198318 | 95 | As is | 4 g |
| P-606842216 | N/A | As is | in stock |
| P-597001934 | 98 | As is | 125 g |
| P-494344487 | 95 | As is | 1.66 g |
| P-864144811 | 95 | As is | in stock |
| P-481166270 | 95 | As is | 22 g |
| P-619602467 | 98 | As is | 31 g |
| P-492248601 | 95 | As is | in stock |
| P-454633142 | 90 | As is | in stock |
| P-449718169 | 90 | As is | 99.995 g |
| P-436452823 | 95 | As is | 25 g |
| P-578597024 | 90 | As is | in stock |
| P-868572030 | 98 | As is | in stock |
| P-580435648 | 95 | As is | by resynthesis (? - ? days) |
| P-905330182 | 90 | As is | 30 g |
| P-861933679 | 90 | As is | 30 g |
| P-502508949 | 95 | As is | by synthesis |
| P-454343465 | 95 | As is | 124 mg |
| P-454412486 | 95 | As is | 25 g |
| P-852406760 | N/A | As is | in stock |
| P-519757144 | 97 | As is | 505.5 g |
| P-35225457 | 97 | As is | 505.5 kg |
| P-854753623 | 95 | As is | in stock |
| P-500402291 | 98 | As is | by synthesis |
| P-889866153 | 95 | As is | by synthesis |
| P-19474557 | 90 | As is | in stock |
| P-904099088 | 97 | As is | 62 g |
| P-502330253 | 90 | As is | in stock |
| P-33705982 | 94 | As is | by resynthesis (? - ? days) |
| P-906752511 | 98 | As is | by synthesis |
| P-611472494 | 90 | As is | in stock |
| P-615414249 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.214 |
| logP | 2.2505 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.84 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.3294 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
