Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8858735094-1
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 | 5 USD | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 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.
-
MCULE-3862961650-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8858735094-1.sdf |
| SMILES | MCULE-8858735094-1.smiles |
| Standard InChI | MCULE-8858735094-1.inchi |
| InChIKey | MCULE-8858735094-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565548 | 97 | As is | in stock |
| P-875724932 | N/A | As is | in stock |
| P-535625244 | 95 | As is | in stock |
| P-505397442 | 98 | As is | in stock |
| P-903054306 | 98 | As is | 296 g |
| P-580198431 | 95 | As is | 1000 mg |
| P-606947596 | N/A | As is | in stock |
| P-489176632 | 97 | As is | in stock |
| P-596929076 | 98 | As is | 1000 g |
| P-494416460 | 95 | As is | by resynthesis (? - ? days) |
| P-864100576 | 95 | As is | in stock |
| P-608389838 | 97 | As is | 839 g |
| P-863646740 | 90 | As is | 3 mg |
| P-851320160 | 95 | As is | by synthesis |
| P-868580298 | 97 | As is | in stock |
| P-580300870 | 95 | As is | by resynthesis (? - ? days) |
| P-580426865 | 95 | As is | by resynthesis (? - ? days) |
| P-905337379 | 95 | As is | 1.0685 kg |
| P-861985947 | 95 | As is | 1.0685 kg |
| P-893288996 | 90 | As is | in stock |
| P-890203048 | 90 | As is | 100 mg |
| P-889736417 | 98 | As is | by resynthesis (? - ? days) |
| P-31235068 | 90 | As is | unavailable |
| P-580511922 | 96 | As is | 5 g |
| P-852442080 | N/A | As is | in stock |
| P-854721797 | 95 | As is | in stock |
| P-872677922 | 95 | As is | in stock |
| P-878646759 | 98 | As is | in stock |
| P-888883631 | N/A | As is | in stock |
| P-500385221 | 95 | As is | by synthesis |
| P-885541631 | 95 | As is | by synthesis |
| P-596754316 | 95 | As is | 1.282 kg |
| P-869123076 | 95 | As is | by synthesis |
| P-892290081 | 95 | As is | unavailable |
| P-888637295 | 95 | As is | 4.994 g |
| P-502330941 | 90 | As is | in stock |
| P-611412562 | 90 | As is | in stock |
| P-893947130 | 95 | As is | in stock |
| P-867588588 | 98 | As a main component | in stock |
| P-875747755 | N/A | As a main component | in stock |
| P-903078570 | 98 | As a main component | 158 g |
| P-606866815 | N/A | As a main component | in stock |
| P-489238512 | 97 | As a main component | in stock |
| P-596984428 | 98 | As a main component | 300 g |
| P-864090640 | 97 | As a main component | in stock |
| P-901773956 | 95 | As a main component | 1000 mg |
| P-901452891 | 95 | As a main component | by synthesis |
| P-617329964 | 95 | As a main component | in stock |
| P-868639948 | 98 | As a main component | in stock |
| P-861972575 | 95 | As a main component | 124.3 g |
| P-1264338783 | 95 | As a main component | 124.3 g |
| P-615655569 | 95 | As a main component | in stock |
| P-31189340 | 90 | As a main component | unavailable |
| P-860789057 | N/A | As a main component | by synthesis |
| P-852466771 | N/A | As a main component | in stock |
| P-901839395 | 95 | As a main component | in stock |
| P-885541630 | 95 | As a main component | by synthesis |
| P-502328595 | 90 | As a main component | in stock |
| P-906868381 | 98 | As a main component | by synthesis |
| P-611414101 | 90 | As a main component | in stock |
| P-893982339 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.321 |
| logP | 3.1214 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 62.2121 |
| Atoms | 39 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
