Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3116288900
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-3116288900.sdf |
| SMILES | MCULE-3116288900.smiles |
| Standard InChI | MCULE-3116288900.inchi |
| InChIKey | MCULE-3116288900.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867567297 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875727282 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869185313 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505395943 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903056627 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1.6 kg |
| P-34884299 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606866857 | AmBeed | In stock | N/A | As is | in stock |
| P-489240841 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596947941 | Angene | Building Blocks in stock | 98 | As is | 3.5 kg |
| P-895933254 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864116941 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580725505 | BLD pharm | In-stock building blocks | 97 | As is | 325 g |
| P-893234835 | Biosynth | In Stock | 95 | As is | in stock |
| P-504685545 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-4967527 | ChemDiv | Discovery Chemistry Library | 90 | As is | 47 mg |
| P-129047 | Chemical Block | Screening Library | 90 | As is | 1.068 g |
| P-851281237 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868597098 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34677505 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580302072 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901376392 | FluoroChem | In Stock BB | N/A | As is | 100 g |
| P-524167816 | Key Organics | Building Blocks | 98 | As is | 25 g |
| P-856006200 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-31257877 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-14220082 | Life Chemicals | Screening Compounds | 90 | As is | 43 mg |
| P-854754754 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500385228 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
| P-519786220 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889881436 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579704605 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
| P-596786036 | Synthonix | In-stock Building Blocks | 97 | As is | 9.615 kg |
| P-33442492 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502371671 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888439601 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611369432 | Toronto Research | In stock | 90 | As is | in stock |
| P-1853030 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 119 mg |
| P-480893375 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.128 |
| logP | 1.5144 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 120.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.1826 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 5 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
