Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7502652357-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4213777896-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7502652357-0.sdf |
| SMILES | MCULE-7502652357-0.smiles |
| Standard InChI | MCULE-7502652357-0.inchi |
| InChIKey | MCULE-7502652357-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634799 | 95 | As is | in stock |
| P-875799159 | N/A | As is | in stock |
| P-613849389 | 95 | As is | in stock |
| P-903154304 | 95 | As is | 2.5 g |
| P-851511238 | N/A | As is | by synthesis |
| P-864156028 | 95 | As is | in stock |
| P-590872102 | 95 | As is | by synthesis |
| P-427972030 | 90 | As is | 5 mg |
| P-454694162 | 90 | As is | in stock |
| P-436447379 | 95 | As is | 10 g |
| P-675063116 | 90 | As is | in stock |
| P-861533967 | 95 | As is | by synthesis |
| P-488553319 | 90 | As is | in stock |
| P-13844742 | 95 | As is | 300 mg |
| P-596588399 | 90 | As is | 5 g |
| P-852394575 | N/A | As is | in stock |
| P-854848267 | 95 | As is | by synthesis |
| P-454370329 | 92 | As is | in stock |
| P-14036758 | 92 | As is | 300 mg |
| P-424836306 | 90 | As is | in stock |
| P-611609238 | 90 | As is | in stock |
| P-1111709 | 90 | As is | 2.222 g |
| P-3228879 | 90 | As is | 2.222 g |
| P-893666090 | 95 | As is | by synthesis |
| P-892973594 | N/A | As a main component | by synthesis |
| P-619835959 | 90 | As a main component | 9.645 g |
| P-34460718 | 90 | As a main component | by synthesis |
| P-580779042 | 90 | As a main component | by resynthesis (? - ? days) |
| P-580768242 | 90 | As a main component | in stock |
| P-580506559 | 95 | As a main component | by synthesis |
| P-864037175 | 95 | As a main component | by synthesis |
| P-873216289 | 90 | As a main component | in stock |
| P-888472039 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.273 |
| logP | 3.1709 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.3296 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
