Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2125757137
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-2125757137.sdf |
| SMILES | MCULE-2125757137.smiles |
| Standard InChI | MCULE-2125757137.inchi |
| InChIKey | MCULE-2125757137.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872831713 | 96 | As is | in stock |
| P-875809636 | N/A | As is | in stock |
| P-869360748 | 95 | As is | in stock |
| P-903168967 | 97 | As is | 50 g |
| P-893558018 | 90 | As is | 50.305 g |
| P-868819568 | N/A | As is | in stock |
| P-865922863 | 97 | As is | 50 g |
| P-864204701 | 95 | As is | in stock |
| P-619601630 | 95 | As is | 15.895 g |
| P-868570860 | 96 | As is | in stock |
| P-862089564 | 95 | As is | 205 mg |
| P-855920315 | 97 | As is | 10 g |
| P-870641082 | 97 | As is | 100 mg |
| P-14061392 | 95 | As is | 3.064 g |
| P-601057309 | 90 | As is | 3.064 g |
| P-852508482 | N/A | As is | in stock |
| P-889871667 | 95 | As is | by synthesis |
| P-611581122 | 90 | As is | in stock |
| P-886893974 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.130 |
| logP | 0.7886 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 94.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.3836 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
