MCULE-1927163841
- 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 | 12 USD | 95 | 24 working days | Get Quote |
5 mg | 12 USD | 95 | 24 working days | Get Quote |
10 mg | 12 USD | 95 | 24 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-3144859381
- Component type: Main
-
MCULE-5002729782
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1927163841.sdf |
SMILES | MCULE-1927163841.smiles |
Standard InChI | MCULE-1927163841.inchi |
InChIKey | MCULE-1927163841.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-866724896 | Apollo Scientific | In Stock | 95 | As is | in stock | August 8, 2022 |
P-597037396 | Bosche Scientific | Bosche Products | 98 | As is | in stock | January 22, 2020 |
P-851278238 | Chemshuttle | On request catalog | N/A | As is | by synthesis | January 16 |
P-579476428 | DC Chemicals Limited | Stock Products | 95 | As is | in stock | September 10, 2018 |
P-862072005 | FluoroChem | All BB | 97 | As is | in stock | May 5, 2022 |
P-863733100 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock | August 15, 2022 |
P-474024499 | MedKoo | In stock compounds | 95 | As is | in stock | August 8, 2017 |
P-608278896 | Molnova | Stock | 98 | As is | in stock | May 7, 2020 |
P-579710542 | Selleckchem | Product Catalog | N/A | As is | in stock | June 16, 2020 |
P-489225812 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock | December 20, 2016 |
P-873438927 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis | August 1 |
P-851264798 | Chemshuttle | On request catalog | N/A | As a main component | by synthesis | January 16 |
P-868603137 | Combi-Blocks | Building Block in stock | 97 | As a main component | in stock | October 7, 2022 |
P-868626220 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock | October 7, 2022 |
P-862126614 | FluoroChem | All BB | 97 | As a main component | in stock | May 5, 2022 |
P-579617201 | LabSeeker, Inc | Stock Collection | 98 | As a main component | in stock | August 11, 2017 |
P-852463798 | Matrix Scientific | All | N/A | As a main component | in stock | February 18, 2022 |
P-864070403 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis | August 15, 2022 |
P-871070954 | MedKoo | In stock compounds | 95 | As a main component | in stock | September 20, 2022 |
P-878643339 | Molnova | Stock | 98 | As a main component | in stock | August 17 |
P-878645907 | Molnova | Stock | 98 | As a main component | in stock | August 17 |
P-881189478 | Otava | In-House Stock Library | 90 | As an isomer | in stock | July 27 |
P-13474796 | Pharmeks LLC | Synthetic compounds | 92 | As an isomer | in stock | November 2, 2012 |
P-2900385 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 305 mg | Yesterday |
Property | Value |
---|---|
Components | 1 |
Mass | 361.367 |
logP | 0.4264 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 79.04 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 100.8527 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 20 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |