Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2785197492
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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.
| Name | File |
|---|---|
| SDF | MCULE-2785197492.sdf |
| SMILES | MCULE-2785197492.smiles |
| Standard InChI | MCULE-2785197492.inchi |
| InChIKey | MCULE-2785197492.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875704066 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590389809 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580198967 | Aldlab Chemicals | Building Block Stock | 95 | As is | 10 g |
| P-34876161 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606927680 | AmBeed | In stock | N/A | As is | in stock |
| P-489113211 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596940074 | Angene | Building Blocks in stock | 98 | As is | 2 kg |
| P-895936882 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864107259 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580733424 | BLD pharm | In-stock building blocks | 98 | As is | 556 g |
| P-893224026 | Biosynth | In Stock | 95 | As is | in stock |
| P-868591671 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580402456 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901371186 | FluoroChem | In Stock BB | N/A | As is | 60 g |
| P-454407432 | Key Organics | Building Blocks | 95 | As is | 3.767 g |
| P-454329902 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.767 g |
| P-579623601 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-31272102 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-131223983 | Life Chemicals | Screening Compounds | 90 | As is | 974 mg |
| P-580486644 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852385739 | Matrix Scientific | All | N/A | As is | in stock |
| P-428001700 | Maybridge | Screening Collection | 95 | As is | 227 g |
| P-854731852 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-620212296 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-620240212 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-519833588 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885546278 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596754184 | Synthonix | In-stock Building Blocks | 95 | As is | 3.17868 kg |
| P-22651818 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502326652 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888468154 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611380805 | Toronto Research | In stock | 90 | As is | in stock |
| P-901166334 | XtalPi Inc. | Express Building Blocks | 98 | As is | in stock |
| P-615393522 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.248 |
| logP | 3.429 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.8254 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
