Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2140948986
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 | 31 USD | 98 | 16 working days | Get Quote |
| 5 mg | 31 USD | 98 | 16 working days | Get Quote |
| 10 mg | 31 USD | 98 | 16 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.
-
2
MCULE-9094179165
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2140948986.sdf |
| SMILES | MCULE-2140948986.smiles |
| Standard InChI | MCULE-2140948986.inchi |
| InChIKey | MCULE-2140948986.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-874624086 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893544676 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.525 g |
| P-31179540 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-856045369 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-854858387 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-608275930 | Molnova | Stock | 98 | As is | in stock |
| P-608280051 | Molnova | Stock | 98 | As is | in stock |
| P-885534662 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896025223 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-870653112 | Glentham Life Sciences | Compounds typically in stock | 99 | Main component | in stock |
| P-505501267 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-890849712 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-855913245 | Key Organics | Building Blocks | 97 | Main component | 10 mg |
| P-579617092 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-856089442 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-31248354 | LaboTest | Screening Collection | 90 | Main component | 500 mg |
| P-895390293 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-608275684 | Molnova | Stock | 98 | Main component | in stock |
| P-596903342 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-33162628 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 974 mg |
| P-35084822 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 117 mg |
| P-892943457 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-867439107 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-867409071 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-492243984 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| P-608083714 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
| P-856044326 | LaboTest | Building Blocks | 90 | Main component as a main component | 1000 mg |
| P-31164913 | LaboTest | Screening Collection | 90 | Main component as a main component | 1000 mg |
| P-675101086 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 676.818 |
| logP | 3.9088 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 190.58 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 181.4598 |
| Atoms | 95 |
| Rings | 6 |
| Heavy atoms | 47 |
| Hydrogen atoms | 48 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
