Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2061567987
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-2061567987.sdf |
| SMILES | MCULE-2061567987.smiles |
| Standard InChI | MCULE-2061567987.inchi |
| InChIKey | MCULE-2061567987.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886612700 | 95 | As is | in stock |
| P-889927624 | N/A | As is | by synthesis |
| P-869352603 | 95 | As is | in stock |
| P-903150879 | 97 | As is | 5 g |
| P-610977879 | 90 | As is | 4.9 g |
| P-851691162 | N/A | As is | by synthesis |
| P-873295052 | 97 | As is | 1000 mg |
| P-889776251 | 95 | As is | in stock |
| P-590887957 | 95 | As is | by synthesis |
| P-901483111 | 95 | As is | by synthesis |
| P-887158638 | 95 | As is | by synthesis |
| P-613279936 | 95 | As is | by synthesis |
| P-895265451 | 95 | As is | by synthesis |
| P-19823984 | 90 | As is | in stock |
| P-453972250 | 90 | As is | 300 mg |
| P-611591713 | 90 | As is | in stock |
| P-35084097 | 90 | As is | 100 mg |
| P-893974486 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.232 |
| logP | 2.621 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 29.96 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.0775 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
