Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6989556184
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 45 USD | 97 | 17 working days | Get Quote |
| 10 mg | 45 USD | 97 | 17 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-6989556184.sdf |
| SMILES | MCULE-6989556184.smiles |
| Standard InChI | MCULE-6989556184.inchi |
| InChIKey | MCULE-6989556184.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886123576 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869369620 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-615730193 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851620959 | AmBeed | On request | N/A | As is | by synthesis |
| P-454643986 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-3302315 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14.095 g |
| P-580437648 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889385624 | FluoroChem | General BB | 95 | As is | in stock |
| P-502806653 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502501513 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503472829 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-454354056 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-862384019 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-14068261 | Life Chemicals | Screening Compounds | 90 | As is | 10 mg |
| P-519761228 | Maybridge | Maybridge Building Blocks | 97 | As is | 264.5 g |
| P-35177013 | Maybridge | Screening Collection | 97 | As is | 264.5 kg |
| P-12800137 | Otava | In-House Stock Library | 90 | As is | 86 mg |
| P-18852586 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856064770 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 5.11 g |
| P-33803074 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502363475 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611596639 | Toronto Research | In stock | 90 | As is | in stock |
| P-611596524 | Toronto Research | In stock | 90 | As is | in stock |
| P-388379 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 116 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.209 |
| logP | 1.6473 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.6325 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
