Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1702934862
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-8509506948
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1702934862.sdf |
| SMILES | MCULE-1702934862.smiles |
| Standard InChI | MCULE-1702934862.inchi |
| InChIKey | MCULE-1702934862.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867493988 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-19121624 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-453987601 | Specs | Screening Compounds | 90 | Main component | 15 mg |
| P-855223904 | Toronto Research | In stock | 90 | Main component | in stock |
| P-871919 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 139 mg |
| P-867670285 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-875844433 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-851460243 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611041779 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-619289359 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | unavailable |
| P-870581323 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-34795210 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
| P-862059524 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-893682230 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 291.770 |
| logP | 4.2064 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 30.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 81.4977 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
