Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2602504848
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 | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 USD | 98 | 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-2602504848.sdf |
| SMILES | MCULE-2602504848.smiles |
| Standard InChI | MCULE-2602504848.inchi |
| InChIKey | MCULE-2602504848.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867628121 | 95 | As is | in stock |
| P-875791636 | N/A | As is | in stock |
| P-869328790 | 95 | As is | in stock |
| P-903143143 | 98 | As is | 50 g |
| P-851953690 | N/A | As is | in stock |
| P-865919269 | 98 | As is | 40 g |
| P-889480840 | 95 | As is | by synthesis |
| P-492253626 | 95 | As is | in stock |
| P-619929131 | 90 | As is | by synthesis |
| P-517290130 | 95 | As is | 10 g |
| P-34875019 | 90 | As is | in stock |
| P-889733917 | 95 | As is | in stock |
| P-855980897 | 95 | As is | 10 g |
| P-31134356 | 90 | As is | 250 mg |
| P-613277723 | 95 | As is | by synthesis |
| P-852552197 | N/A | As is | in stock |
| P-895228027 | 95 | As is | in stock |
| P-889862262 | 95 | As is | by synthesis |
| P-519826258 | 90 | As is | in stock |
| P-22650311 | 90 | As is | in stock |
| P-502385131 | 90 | As is | in stock |
| P-888466994 | 94 | As is | by resynthesis (? - ? days) |
| P-906819771 | 95 | As is | by synthesis |
| P-855249689 | 90 | As is | in stock |
| P-893986718 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.085 |
| logP | 2.0886 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.8937 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 |
