Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1000583062
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 | 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.
| Name | File |
|---|---|
| SDF | MCULE-1000583062.sdf |
| SMILES | MCULE-1000583062.smiles |
| Standard InChI | MCULE-1000583062.inchi |
| InChIKey | MCULE-1000583062.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892850371 | 97 | As is | in stock |
| P-875691115 | N/A | As is | in stock |
| P-894640415 | 95 | As is | in stock |
| P-903011911 | 95 | As is | 1000 mg |
| P-893563841 | 90 | As is | 24.7 g |
| P-851917568 | N/A | As is | by synthesis |
| P-895092959 | 97 | As is | unavailable |
| P-591062392 | 95 | As is | by synthesis |
| P-861456029 | 95 | As is | by synthesis |
| P-488555101 | 90 | As is | in stock |
| P-427879189 | 95 | As is | 300 mg |
| P-596599108 | 90 | As is | 5 g |
| P-579648633 | 95 | As is | by resynthesis (? - ? days) |
| P-613334900 | 95 | As is | by synthesis |
| P-852421696 | N/A | As is | in stock |
| P-854886954 | 95 | As is | by synthesis |
| P-454375710 | 92 | As is | in stock |
| P-864667993 | 92 | As is | 300 mg |
| P-885531770 | 95 | As is | by synthesis |
| P-579450131 | 90 | As is | in stock |
| P-584592036 | 90 | As is | 38 mg |
| P-611396937 | 90 | As is | in stock |
| P-424788943 | 90 | As is | 115 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.648 |
| logP | 2.4002 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 16.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.889 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
