Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5828095591
Compound
Show structures
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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 30 USD | 98 | 22 working days | Get Quote |
| 10 mg | 47 USD | 98 | 22 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-8238642865
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5828095591.sdf |
| SMILES | MCULE-5828095591.smiles |
| Standard InChI | MCULE-5828095591.inchi |
| InChIKey | MCULE-5828095591.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872937439 | N/A | As is | by synthesis |
| P-901190119 | N/A | As is | by synthesis |
| P-895190432 | 95 | As is | by synthesis |
| P-584619111 | 95 | As is | in stock |
| P-491319095 | 95 | As is | by synthesis |
| P-869163049 | 95 | As is | by synthesis |
| P-888658472 | 95 | As is | unavailable |
| P-611522954 | 90 | As is | in stock |
| P-611485414 | 90 | As is | in stock |
| P-867612535 | 98 | As a main component | in stock |
| P-875772583 | N/A | As a main component | in stock |
| P-903113291 | 98 | As a main component | 100 g |
| P-1264052488 | 95 | As a main component | in stock |
| P-893511379 | 90 | As a main component | 112.01 g |
| P-851932004 | N/A | As a main component | in stock |
| P-865914820 | 95 | As a main component | 500 mg |
| P-872725985 | 98 | As a main component | in stock |
| P-889589146 | 95 | As a main component | in stock |
| P-901918924 | 95 | As a main component | 1.086 g |
| P-893219487 | 95 | As a main component | in stock |
| P-851242884 | 95 | As a main component | by synthesis |
| P-580451166 | 98 | As a main component | in stock |
| P-887200495 | 95 | As a main component | by synthesis |
| P-596561983 | 97 | As a main component | 10 mg |
| P-852520961 | N/A | As a main component | in stock |
| P-904640882 | 95 | As a main component | by synthesis |
| P-854721386 | 95 | As a main component | in stock |
| P-888172061 | 98 | As a main component | by synthesis |
| P-885533256 | 95 | As a main component | by synthesis |
| P-869163048 | 95 | As a main component | by synthesis |
| P-892298844 | 95 | As a main component | unavailable |
| P-888658471 | 95 | As a main component | 202 mg |
| P-906804635 | 97 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.313 |
| logP | 2.0027 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 88.2 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.1355 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
