Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4771051112
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-4771051112.sdf |
| SMILES | MCULE-4771051112.smiles |
| Standard InChI | MCULE-4771051112.inchi |
| InChIKey | MCULE-4771051112.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534134 | 98 | As is | in stock |
| P-875689136 | N/A | As is | in stock |
| P-597026121 | 95 | As is | in stock |
| P-590403784 | 95 | As is | in stock |
| P-903007788 | 98 | As is | 150 g |
| P-893545964 | 90 | As is | 105.08 g |
| P-580243721 | 95 | As is | by synthesis |
| P-606857758 | N/A | As is | in stock |
| P-489226996 | 97 | As is | in stock |
| P-596935630 | 98 | As is | 15 g |
| P-605399926 | 95 | As is | 4 g |
| P-864107812 | 95 | As is | in stock |
| P-580699717 | 98 | As is | 16.25 g |
| P-868599988 | 98 | As is | in stock |
| P-862051843 | 95 | As is | 27 g |
| P-905349471 | 95 | As is | 27 g |
| P-18789627 | 95 | As is | 18.459 g |
| P-454376929 | 95 | As is | 18.459 g |
| P-852412172 | N/A | As is | in stock |
| P-885534142 | 95 | As is | by synthesis |
| P-596782390 | 98 | As is | 82.25 g |
| P-502398720 | 90 | As is | in stock |
| P-906751804 | 98 | As is | by synthesis |
| P-611479356 | 90 | As is | in stock |
| P-893964802 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 202.209 |
| logP | 1.6589 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 44.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.8435 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| 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 |
