Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1743859420-0
Structure
Show compound
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 | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 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-4811219863-2
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1743859420-0.sdf |
| SMILES | MCULE-1743859420-0.smiles |
| Standard InChI | MCULE-1743859420-0.inchi |
| InChIKey | MCULE-1743859420-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867456595 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-895320148 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-535626011 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851943657 | AmBeed | In stock | N/A | Main component | in stock |
| P-580192606 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-895935686 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-666962528 | BLD pharm | In-stock building blocks | 98 | Main component | 268 g |
| P-893234099 | Biosynth | In Stock | 95 | Main component | in stock |
| P-889113455 | FluoroChem | In Stock BB | 95 | Main component | 5.5 g |
| P-579612773 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
| P-885544607 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-579710060 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-892286115 | TargetMol | In Stock BB | 95 | Main component | 987 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 188.639 |
| logP | 1.8175 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 89.45 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.0384 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
