Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3550845946
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 | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 59 USD | 95 | 11 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-3550845946.sdf |
| SMILES | MCULE-3550845946.smiles |
| Standard InChI | MCULE-3550845946.inchi |
| InChIKey | MCULE-3550845946.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875793572 | N/A | As is | in stock |
| P-869349813 | 95 | As is | in stock |
| P-903145426 | 95 | As is | 1000 mg |
| P-893580231 | 90 | As is | 96.397 g |
| P-851452591 | N/A | As is | by synthesis |
| P-489230062 | 97 | As is | in stock |
| P-605399868 | 95 | As is | 5 g |
| P-905462798 | 95 | As is | in stock |
| P-590751258 | 95 | As is | by synthesis |
| P-505590143 | 95 | As is | in stock |
| P-868601654 | 95 | As is | in stock |
| P-889314313 | 95 | As is | 41.396 g |
| P-890205343 | 90 | As is | 5.05 g |
| P-579486823 | 90 | As is | 5.05 g |
| P-18789502 | 95 | As is | 23.287 g |
| P-454376896 | 95 | As is | 23.287 g |
| P-852235273 | 90 | As is | 84 mg |
| P-852412126 | N/A | As is | in stock |
| P-872796215 | 95 | As is | in stock |
| P-859958305 | 95 | As is | by synthesis |
| P-424891846 | 90 | As is | in stock |
| P-502406219 | 90 | As is | in stock |
| P-906863979 | 95 | As is | by synthesis |
| P-611478637 | 90 | As is | in stock |
| P-3095388 | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.694 |
| logP | 3.5047 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.5189 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| 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 |
