Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2596092440
Compound
Show structures
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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
1
MCULE-7055994360
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2596092440.sdf |
| SMILES | MCULE-2596092440.smiles |
| Standard InChI | MCULE-2596092440.inchi |
| InChIKey | MCULE-2596092440.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892941263 | N/A | As is | by synthesis |
| P-867589244 | 95 | Main component | in stock |
| P-875748592 | N/A | Main component | in stock |
| P-869304678 | 95 | Main component | in stock |
| P-903079507 | 98 | Main component | 700 g |
| P-851808177 | N/A | Main component | by synthesis |
| P-489166140 | 97 | Main component | in stock |
| P-596992802 | 97 | Main component | 200 g |
| P-889778195 | 95 | Main component | in stock |
| P-901443900 | 95 | Main component | by synthesis |
| P-868613079 | 97 | Main component | in stock |
| P-580408408 | 95 | Main component | by resynthesis (? - ? days) |
| P-579719082 | 95 | Main component | in stock |
| P-596563676 | 95 | Main component | 25 g |
| P-608098458 | 95 | Main component | 10 g |
| P-581745178 | 98 | Main component | 1.19 kg |
| P-852605434 | N/A | Main component | in stock |
| P-904059819 | 95 | Main component | by synthesis |
| P-854691030 | 95 | Main component | in stock |
| P-619672621 | 98 | Main component | in stock |
| P-594273653 | 95 | Main component | by synthesis |
| P-869177167 | 95 | Main component | in stock |
| P-892295262 | 95 | Main component | 977 mg |
| P-892337660 | 95 | Main component | 977 mg |
| P-906903973 | 98 | Main component | in stock |
| P-855062532 | 90 | Main component | in stock |
| P-615417457 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 183.995 |
| logP | -1.6478 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 110.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 21.0123 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 3 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 2 |
| 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 |
