Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4852514292
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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 50 USD | 95 | 14 working days | Get Quote |
| 10 mg | 50 USD | 95 | 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.
-
MCULE-6116641109
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4852514292.sdf |
| SMILES | MCULE-4852514292.smiles |
| Standard InChI | MCULE-4852514292.inchi |
| InChIKey | MCULE-4852514292.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621917 | 95 | As is | in stock |
| P-875783636 | N/A | As is | in stock |
| P-903131691 | 95 | As is | 20 g |
| P-905482149 | 95 | As is | 10 g |
| P-610953654 | 90 | As is | 104 g |
| P-617048495 | 95 | As is | by resynthesis (? - ? days) |
| P-851800092 | N/A | As is | by synthesis |
| P-489195187 | 97 | As is | in stock |
| P-864100308 | 95 | As is | in stock |
| P-591123337 | 95 | As is | by synthesis |
| P-861445058 | 95 | As is | by synthesis |
| P-580297692 | 95 | As is | by resynthesis (? - ? days) |
| P-590340874 | 90 | As is | 1000 mg |
| P-890218447 | 90 | As is | 1000 mg |
| P-563507522 | 95 | As is | 5 g |
| P-579635808 | 95 | As is | by resynthesis (? - ? days) |
| P-580491127 | N/A | As is | by synthesis |
| P-852385305 | N/A | As is | in stock |
| P-895235732 | 95 | As is | by synthesis |
| P-888905511 | N/A | As is | in stock |
| P-859994941 | 95 | As is | by synthesis |
| P-903669714 | 94 | As is | by resynthesis (? - ? days) |
| P-906878036 | 95 | As is | by synthesis |
| P-611610539 | 90 | As is | in stock |
| P-893835286 | 95 | As is | by synthesis |
| P-615395278 | 95 | As is | in stock |
| P-867669332 | 95 | As a main component | in stock |
| P-875843486 | N/A | As a main component | in stock |
| P-904562125 | 95 | As a main component | in stock |
| P-591149989 | 95 | As a main component | by synthesis |
| P-616227457 | 95 | As a main component | in stock |
| P-4151221 | 90 | As a main component | 100 mg |
| P-674290742 | 90 | As a main component | in stock |
| P-619317134 | 90 | As a main component | 31 mg |
| P-584598506 | 95 | As a main component | 16 g |
| P-861529547 | 95 | As a main component | by synthesis |
| P-34732839 | 90 | As a main component | by synthesis |
| P-855950617 | 95 | As a main component | 5 g |
| P-895695285 | 95 | As a main component | by synthesis |
| P-675103834 | 90 | As a main component | in stock |
| P-873216163 | 90 | As a main component | in stock |
| P-617776320 | 90 | As a main component | 115 mg |
| P-893661534 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.331 |
| logP | 2.1817 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.0087 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
