Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2751110672
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 | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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-1447476278
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2751110672.sdf |
| SMILES | MCULE-2751110672.smiles |
| Standard InChI | MCULE-2751110672.inchi |
| InChIKey | MCULE-2751110672.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903146983 | 97 | As is | 5 g |
| P-489164716 | 97 | As is | in stock |
| P-589656034 | 95 | As is | by resynthesis (? - ? days) |
| P-868652092 | 96 | As is | in stock |
| P-493678292 | N/A | As is | in stock |
| P-579627437 | 95 | As is | unavailable |
| P-597026522 | 95 | As a main component | in stock |
| P-903195854 | 99 | As a main component | 3.5 kg |
| P-905486227 | 98 | As a main component | 100 g |
| P-489177740 | 97 | As a main component | in stock |
| P-868577451 | 98 | As a main component | in stock |
| P-861972065 | 98 | As a main component | 2.0078 kg |
| P-905334254 | 98 | As a main component | 2.0078 kg |
| P-579613987 | 95 | As a main component | 2.5 kg |
| P-867624775 | 97 | As an isomer | in stock |
| P-890155355 | N/A | As an isomer | in stock |
| P-904638979 | 95 | As an isomer | in stock |
| P-903137133 | 97 | As an isomer | 24 g |
| P-892190001 | 97 | As an isomer | 50 g |
| P-901520108 | 95 | As an isomer | by synthesis |
| P-901549819 | 95 | As an isomer | by synthesis |
| P-619832417 | 90 | As an isomer | 5.445 g |
| P-870501742 | 90 | As an isomer | in stock |
| P-889030672 | 96 | As an isomer | in stock |
| P-890216971 | 90 | As an isomer | 1000 mg |
| P-590339400 | 90 | As an isomer | 1000 mg |
| P-524195314 | 97 | As an isomer | 10 g |
| P-864067429 | 95 | As an isomer | by synthesis |
| P-579714424 | N/A | As an isomer | in stock |
| P-491252605 | 95 | As an isomer | by synthesis |
| P-894009868 | 95 | As an isomer | in stock |
| P-893834786 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 1.4297 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.8214 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
