MCULE-9029667088
- 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 | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 working days | Get Quote |
- 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-9029667088.sdf |
SMILES | MCULE-9029667088.smiles |
Standard InChI | MCULE-9029667088.inchi |
InChIKey | MCULE-9029667088.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867315993 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889951441 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436456185 | Alinda | Building Blocks | 95 | As is | in stock |
P-851860194 | AmBeed | On request | N/A | As is | by synthesis |
P-596464438 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-591166476 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-504734435 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-619934836 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-454758531 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607762595 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-861531499 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34494613 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580778074 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580767347 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-862064443 | FluoroChem | General BB | N/A | As is | in stock |
P-855972763 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-580463032 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852387653 | Matrix Scientific | All | N/A | As is | in stock |
P-854860263 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23863378 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491130192 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502335512 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22531245 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
P-855301229 | Toronto Research | In stock | 90 | As is | in stock |
P-596527432 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 5.033 g |
P-1158118 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5.033 g |
Property | Value |
---|---|
Components | 1 |
Mass | 271.275 |
logP | 1.6193 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 85.31 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 72.2023 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 13 |
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 |