Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9952884697
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 | 7 USD | 95 | 16 working days | Get Quote |
| 5 mg | 7 USD | 95 | 16 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9952884697.sdf |
| SMILES | MCULE-9952884697.smiles |
| Standard InChI | MCULE-9952884697.inchi |
| InChIKey | MCULE-9952884697.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867548959 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875706338 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869182306 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505392852 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-580243032 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-34861553 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606948743 | AmBeed | In stock | N/A | As is | in stock |
| P-489141869 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-851150737 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-494331100 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864141090 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-872720724 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-851308276 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-871217983 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868593889 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862024202 | FluoroChem | General BB | N/A | As is | in stock |
| P-675214385 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502566727 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454384854 | Key Organics | Building Blocks | 95 | As is | 23.192 g |
| P-18805548 | Key Organics | Screening Compounds and Fragments | 95 | As is | 6.262 g |
| P-856043016 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31177324 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-852496059 | Matrix Scientific | All | N/A | As is | in stock |
| P-854740595 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-885546197 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596787708 | Synthonix | In-stock Building Blocks | 98 | As is | unavailable |
| P-502365715 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22454952 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 237 mg |
| P-611381385 | Toronto Research | In stock | 90 | As is | in stock |
| P-615395559 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.160 |
| logP | -0.1461 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.65 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.0104 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
