MCULE-6064748432
- 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 | 54 USD | 90 | 19 working days | Get Quote |
10 mg | 68 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-6064748432.sdf |
SMILES | MCULE-6064748432.smiles |
Standard InChI | MCULE-6064748432.inchi |
InChIKey | MCULE-6064748432.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867416749 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894664976 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851701823 | AmBeed | On request | N/A | As is | by synthesis |
P-494451301 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-591027073 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619313511 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-34572544 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580768707 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580779583 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-860788975 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854884499 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23882284 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491132571 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33489625 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502345000 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1233919 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.05 g |
P-596527589 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.05 g |
Property | Value |
---|---|
Components | 1 |
Mass | 271.630 |
logP | 3.1435 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 72.87 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 63.292 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 7 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |