Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4215013152-1
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-6432281267-1
- Component type: Main
-
1
MCULE-7728164114-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4215013152-1.sdf |
| SMILES | MCULE-4215013152-1.smiles |
| Standard InChI | MCULE-4215013152-1.inchi |
| InChIKey | MCULE-4215013152-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869287093 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-584602996 | Alinda | Building Blocks | 95 | As is | 1000 mg |
| P-893224637 | Biosynth | In Stock | 95 | As is | in stock |
| P-617651406 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851268269 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868605529 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580759875 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-900265466 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-579476631 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-901379162 | FluoroChem | In Stock BB | N/A | As is | 25 g |
| P-500417212 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-675446605 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-524164239 | Key Organics | Building Blocks | 98 | As is | 1000 g |
| P-596581580 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-856009958 | Key Organics | Biochemicals | 97 | As is | 100 mg |
| P-856010632 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-852531397 | Matrix Scientific | All | N/A | As is | in stock |
| P-854690596 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-888171736 | Molnova | On demand | 98 | As is | by synthesis |
| P-675098278 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885550176 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579710822 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-525181933 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892297296 | TargetMol | In Stock BB | 95 | As is | 1.005 g |
| P-892342471 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.005 g |
| P-502328979 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888497305 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-617781656 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 182 mg |
| P-893990073 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-524163249 | Key Organics | Building Blocks | 98 | Main component as a main component | 100 g |
| P-596584516 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 197.658 |
| logP | 0.3302 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.036 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
