MCULE-4259363331
- 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 | 37 USD | 90 | 19 working days | Get Quote |
5 mg | 53 USD | 90 | 19 working days | Get Quote |
10 mg | 67 USD | 90 | 19 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-4259363331.sdf |
SMILES | MCULE-4259363331.smiles |
Standard InChI | MCULE-4259363331.inchi |
InChIKey | MCULE-4259363331.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867406630 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851541003 | AmBeed | On request | N/A | As is | by synthesis |
P-590844163 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-901438499 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-454761745 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-34573304 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580769759 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580780688 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-580487796 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-895691137 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23882999 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491134325 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502345981 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22538775 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 24 mg |
P-596527657 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.05 g |
P-1236017 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.05 g |
Property | Value |
---|---|
Components | 1 |
Mass | 302.710 |
logP | 3.6382 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 65.22 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 78.4955 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |