MCULE-1353253711
- 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 | 44 USD | 95 | 14 working days | Get Quote |
5 mg | 88 USD | 98 | 16 working days | Get Quote |
10 mg | 128 USD | N/A | 9 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.
-
MCULE-4400474200
- Component type: Main
-
MCULE-6238124369
- Component type: Main
-
MCULE-1294461004
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1353253711.sdf |
SMILES | MCULE-1353253711.smiles |
Standard InChI | MCULE-1353253711.inchi |
InChIKey | MCULE-1353253711.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875816882 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-892414223 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-851244102 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887190573 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479000 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-852502980 | Matrix Scientific | All | N/A | As is | in stock |
P-854715908 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474023198 | MedKoo | In stock compounds | 95 | As is | in stock |
P-851278250 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-893628416 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-871068655 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-888169438 | Molnova | On demand | 98 | As a main component | by synthesis |
P-867648750 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
P-852199069 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
P-610974896 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 975 mg |
P-892510382 | AmBeed | In stock | N/A | As an isomer | in stock |
P-868831475 | Angene | Building Blocks in stock | 99 | As an isomer | 200 mg |
P-580193135 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
P-860797980 | Chiralstar | Chiralstar Building Blocks | 98 | As an isomer | in stock |
P-675215892 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
P-873245417 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
P-608277895 | Molnova | Stock | 98 | As an isomer | in stock |
P-579709955 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
P-589631357 | Selleckchem | Epigenetics | N/A | As an isomer | in stock |
P-464639051 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
P-892291809 | TargetMol | In Stock BB | 95 | As an isomer | unavailable |
P-855322867 | Toronto Research | In stock | 90 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 375.470 |
logP | 3.2498 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 72.97 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 120.3174 |
Atoms | 53 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 25 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |