Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6931415631
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 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-6931415631.sdf |
| SMILES | MCULE-6931415631.smiles |
| Standard InChI | MCULE-6931415631.inchi |
| InChIKey | MCULE-6931415631.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867627402 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875789943 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869202344 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-596512298 | Asinex | General bb catalog | 90 | As is | 734 mg |
| P-596358603 | Asinex | General screening catalog | 90 | As is | 734 mg |
| P-577173529 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-3659727 | ChemDiv | Discovery Chemistry Library | 90 | As is | 639 mg |
| P-34816628 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580768762 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580779643 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-861932068 | FluoroChem | General BB | N/A | As is | in stock |
| P-502512615 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488545955 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12686123 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-596587055 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-31183500 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856045335 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-580496493 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852607158 | Matrix Scientific | All | N/A | As is | in stock |
| P-454365990 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500379329 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-18916517 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885517534 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33464737 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502333610 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855219211 | Toronto Research | In stock | 90 | As is | in stock |
| P-3242112 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 6.617 g |
| P-3224478 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 6.617 g |
| P-393059 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6.617 g |
| P-893818527 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.674 |
| logP | 4.3116 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 52.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.8594 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
