Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4183495834-0
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 | 11 USD | 99 | 14 working days | Get Quote |
| 5 mg | 11 USD | 99 | 14 working days | Get Quote |
| 10 mg | 12 USD | N/A | 9 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-9360772794-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4183495834-0.sdf |
| SMILES | MCULE-4183495834-0.smiles |
| Standard InChI | MCULE-4183495834-0.inchi |
| InChIKey | MCULE-4183495834-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893166674 | N/A | As is | by synthesis |
| P-893148254 | N/A | As is | by synthesis |
| P-867643525 | 98 | As is | in stock |
| P-875810156 | N/A | As is | in stock |
| P-903169599 | 99 | As is | 75 g |
| P-875894364 | N/A | As is | in stock |
| P-893260528 | 95 | As is | by synthesis |
| P-579479125 | 95 | As is | in stock |
| P-901410041 | 98 | As is | in stock |
| P-505515652 | 95 | As is | in stock |
| P-579617106 | 98 | As is | unavailable |
| P-896628083 | 95 | As is | by synthesis |
| P-854720990 | 95 | As is | in stock |
| P-474025909 | 95 | As is | in stock |
| P-888171125 | 98 | As is | by synthesis |
| P-885538495 | 95 | As is | by synthesis |
| P-869121239 | 95 | As is | by synthesis |
| P-892289734 | 95 | As is | unavailable |
| P-888635912 | 95 | As is | 200 mg |
| P-611488723 | 90 | As is | in stock |
| P-851810698 | N/A | As a main component | by synthesis |
| P-489151379 | 97 | As a main component | in stock |
| P-872724209 | 98 | As a main component | in stock |
| P-591178539 | 95 | As a main component | by synthesis |
| P-901431011 | 95 | As a main component | by synthesis |
| P-854699444 | 95 | As a main component | by synthesis |
| P-869128482 | 95 | As a main component | by synthesis |
| P-888641183 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 334.371 |
| logP | 2.863 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 79.37 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 104.0294 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
