Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1173774996-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-1173774996-0.sdf |
| SMILES | MCULE-1173774996-0.smiles |
| Standard InChI | MCULE-1173774996-0.inchi |
| InChIKey | MCULE-1173774996-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889934468 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-590357013 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851604127 | AmBeed | On request | N/A | As is | by synthesis |
| P-889809460 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590951885 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-4929990 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-105870 | Chemical Block | Screening Library | 90 | As is | 28 mg |
| P-868647347 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34672872 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502510984 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-855939863 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-467885431 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-14230177 | Life Chemicals | Screening Compounds | 90 | As is | 8 mg |
| P-852505089 | Matrix Scientific | All | N/A | As is | in stock |
| P-854835903 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-24027217 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-453917436 | Specs | Screening Compounds | 90 | As is | 141 mg |
| P-22558878 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
| P-611486701 | Toronto Research | In stock | 90 | As is | in stock |
| P-1834476 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 37 mg |
| P-893753408 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 314.335 |
| logP | 2.8171 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 76.66 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.5724 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
