Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1088673614
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 | 64 USD | 90 | 22 working days | Get Quote |
| 5 mg | 94 USD | 90 | 22 working days | Get Quote |
| 10 mg | 129 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.
-
1
MCULE-6304642474
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1088673614.sdf |
| SMILES | MCULE-1088673614.smiles |
| Standard InChI | MCULE-1088673614.inchi |
| InChIKey | MCULE-1088673614.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867670837 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875844564 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851857388 | AmBeed | On request | N/A | As is | by synthesis |
| P-611200122 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-616227863 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-4157140 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-861374465 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-862059303 | FluoroChem | General BB | N/A | As is | in stock |
| P-855951710 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-869022123 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-868530816 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-580383440 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 190.630 |
| logP | 0.6533 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 73.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.1631 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
