Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3676421954
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 | 56 USD | 98 | 24 working days | Get Quote |
| 5 mg | 56 USD | 98 | 24 working days | Get Quote |
| 10 mg | 56 USD | 98 | 24 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-3900455535
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3676421954.sdf |
| SMILES | MCULE-3676421954.smiles |
| Standard InChI | MCULE-3676421954.inchi |
| InChIKey | MCULE-3676421954.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854073601 | InterBioScreen | Screening Compounds | 92 | As is | 77 mg |
| P-674419749 | Pharmeks LLC | Synthetic compounds | 92 | As is | 77 mg |
| P-867613556 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875773471 | AA Blocks | AA Blocks | N/A | Main component | in stock |
| P-590398632 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-578527222 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-436468767 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-886881809 | AmBeed | On request | N/A | Main component | by synthesis |
| P-489141044 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596496840 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-596448971 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-889445511 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590779495 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-492265648 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-427973252 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 50 mg |
| P-666902220 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-454629644 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-449699930 | ChemDiv | New Chemistry Library | 90 | Main component | 1.745 g |
| P-851264672 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868592072 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-580279868 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-861974220 | FluoroChem | General BB | N/A | Main component | in stock |
| P-454403082 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-454322753 | Key Organics | Screening Compounds and Fragments | 95 | Main component | unavailable |
| P-856018311 | LaboTest | Screening Collection | 90 | Main component | 1000 mg |
| P-580474352 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852402501 | Matrix Scientific | All | N/A | Main component | in stock |
| P-885517140 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-502340304 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611398815 | Toronto Research | In stock | 90 | Main component | in stock |
| P-872756035 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 314.335 |
| logP | 2.2213 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 91.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 88.9683 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
