Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2379937429-0
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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.
-
MCULE-8819109638-0
- Component type: Main
-
MCULE-6686678875-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2379937429-0.sdf |
| SMILES | MCULE-2379937429-0.smiles |
| Standard InChI | MCULE-2379937429-0.inchi |
| InChIKey | MCULE-2379937429-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-900155496 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-489191203 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-900154718 | AvaChem Scientific | In stock | 95 | As a main component | in stock |
| P-893109986 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-867566456 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-505389622 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-869338918 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-505390730 | AK Scientific | Building Blocks | 99 | As an isomer | in stock |
| P-610958334 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 62.525 g |
| P-888175593 | Alinda | Natural and special price products | 90 | As an isomer | in stock |
| P-896060029 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-606855593 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596947163 | Angene | Building Blocks in stock | 98 | As an isomer | 25 g |
| P-580194007 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-870027242 | Asinex | General screening catalog | 90 | As an isomer | 479 mg |
| P-864104091 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-893227629 | Biosynth | In Stock | 95 | As an isomer | in stock |
| P-851288345 | Chemshuttle | On request catalog | 95 | As an isomer | by synthesis |
| P-861276314 | Chiralstar | Chiralstar Building Blocks | 95 | As an isomer | in stock |
| P-580401493 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-524443023 | Key Organics | Biochemicals | 97 | As an isomer | 647 mg |
| P-580480396 | Manchester Organics | Compounds on demand | 95 | As an isomer | by synthesis |
| P-500406336 | Pi Chemicals | Virtual Compounds | 97 | As an isomer | by synthesis |
| P-885536160 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-579712673 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-579708058 | Sinova Inc. | In-stock Building Blocks | N/A | As an isomer | in stock |
| P-464622800 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892286408 | TargetMol | In Stock BB | 95 | As an isomer | 1.171 g |
| P-888626853 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 1.171 g |
| P-888596375 | TimTec | ActiMol 4 Week - On demand | 94 | As an isomer | by resynthesis (? - ? days) |
| P-480212453 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 398.473 |
| logP | 3.8638 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 77.23 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.3066 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
