Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4524259101
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-4524259101.sdf |
| SMILES | MCULE-4524259101.smiles |
| Standard InChI | MCULE-4524259101.inchi |
| InChIKey | MCULE-4524259101.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586237 | 98 | As is | in stock |
| P-875745079 | N/A | As is | in stock |
| P-869183263 | 98 | As is | in stock |
| P-588246897 | 99 | As is | in stock |
| P-903075612 | 98 | As is | 4.5 kg |
| P-606895167 | N/A | As is | in stock |
| P-489209013 | 97 | As is | in stock |
| P-596954367 | 98 | As is | 1.1 kg |
| P-895922876 | 95 | As is | by resynthesis (? - ? days) |
| P-889792139 | 95 | As is | in stock |
| P-901454927 | 95 | As is | by synthesis |
| P-868597390 | 98 | As is | in stock |
| P-580411006 | 95 | As is | by resynthesis (? - ? days) |
| P-901372112 | 99 | As is | 5 g |
| P-862128379 | 99 | As is | 566.532 g |
| P-855933821 | 97 | As is | 500 g |
| P-31250573 | 90 | As is | unavailable |
| P-1263696651 | 95 | As is | by synthesis |
| P-584618078 | 95 | As is | in stock |
| P-885546118 | 95 | As is | by synthesis |
| P-906836018 | 97 | As is | by synthesis |
| P-906762966 | 97 | As is | by synthesis |
| P-906829668 | 97 | As is | by synthesis |
| P-906839921 | 98 | As is | by synthesis |
| P-615411621 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 318.321 |
| logP | 4.125 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 89.243 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 14 |
| 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 |
