MCULE-6614496113-0
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 42 USD | 95 | 21 working days | Get Quote |
10 mg | 42 USD | 95 | 21 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.
-
1
MCULE-2376673346-2
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6614496113-0.sdf |
SMILES | MCULE-6614496113-0.smiles |
Standard InChI | MCULE-6614496113-0.inchi |
InChIKey | MCULE-6614496113-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895928383 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864161152 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893253967 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851268324 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868661139 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-617980674 | InterBioScreen | Screening Compounds | 92 | As is | 152 mg |
P-855910208 | Key Organics | Building Blocks | 97 | As is | 3.537 g |
P-855992589 | Key Organics | Screening Compounds and Fragments | 97 | As is | 3.537 g |
P-856077767 | LabSeeker, Inc | Stock Collection | 99 | As is | in stock |
P-856021113 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-854715499 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-896628844 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-871073695 | MedKoo | In stock compounds | 95 | As is | in stock |
P-579711023 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-896083783 | Specs | Repurposed Compounds | N/A | As is | 117 mg |
P-869107507 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892286113 | TargetMol | In Stock BB | 95 | As is | 479 mg |
P-888626541 | TargetMol | Screening Compounds - stock amount | 95 | As is | 479 mg |
P-617802010 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 30 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 274.249 |
logP | 1.6109 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 64.52 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 76.8352 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 1 |
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 |