Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5113430714-0
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 | 29 USD | 95 | 20 working days | Get Quote |
| 5 mg | 29 USD | 95 | 20 working days | Get Quote |
| 10 mg | 29 USD | 95 | 20 working days | Get Quote |
- 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.
-
1
MCULE-9590481851-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5113430714-0.sdf |
| SMILES | MCULE-5113430714-0.smiles |
| Standard InChI | MCULE-5113430714-0.inchi |
| InChIKey | MCULE-5113430714-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867613432 | 98 | As is | in stock |
| P-875773817 | 98 | As is | in stock |
| P-905311096 | 98 | As is | 2.5 g |
| P-864037444 | 95 | As is | by synthesis |
| P-492276232 | 99 | As is | 1.9 g |
| P-26395170 | 90 | As is | 1.9 g |
| P-896082575 | N/A | As is | 22 mg |
| P-1272897380 | 94 | As is | by resynthesis (? - ? days) |
| P-611435628 | 90 | As is | in stock |
| P-893676335 | 98 | As is | by synthesis |
| P-875688204 | 98 | Main component | in stock |
| P-590371326 | 95 | Main component | by resynthesis (? - ? days) |
| P-903008473 | 95 | Main component | 10 g |
| P-1270350820 | 95 | Main component | in stock |
| P-489214875 | 97 | Main component | in stock |
| P-865901882 | 95 | Main component | 10 g |
| P-864200581 | 95 | Main component | in stock |
| P-878240020 | 98 | Main component | in stock |
| P-577177956 | 90 | Main component | by synthesis |
| P-851325064 | 95 | Main component | by synthesis |
| P-868603484 | 98 | Main component | in stock |
| P-580422392 | 95 | Main component | by resynthesis (? - ? days) |
| P-575336033 | 95 | Main component | in stock |
| P-861943630 | 95 | Main component | 16.9 g |
| P-590344254 | 90 | Main component | 50 mg |
| P-454343571 | 90 | Main component | unavailable |
| P-856014415 | 90 | Main component | unavailable |
| P-852423474 | N/A | Main component | by synthesis |
| P-621853756 | 90 | Main component | by synthesis |
| P-889862800 | 95 | Main component | by synthesis |
| P-611435627 | 90 | Main component | in stock |
| P-1271667094 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 240.727 |
| logP | 2.1091 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 74.4022 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
