MCULE-3867000095-0
- 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 | 8 USD | 95 | 22 working days | Get Quote |
5 mg | 8 USD | 95 | 22 working days | Get Quote |
10 mg | 8 USD | 95 | 22 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-5988438125-0
- Component type: Counter Ion
-
MCULE-5412591999-0
- Component type: Counter Ion
-
MCULE-7946419970-0
- Component type: Counter Ion
-
MCULE-7440913280-0
- Component type: Counter Ion
-
MCULE-4807487882-0
- Component type: Counter Ion
-
MCULE-9349996802-0
- Component type: Counter Ion
-
MCULE-1187979534-0
- Component type: Counter Ion
-
MCULE-2707689623-0
- Component type: Counter Ion
-
MCULE-2408937172-0
- Component type: Counter Ion
-
MCULE-2628563960-0
- Component type: Unknown
-
MCULE-3401035690-0
- Component type: Counter Ion
-
MCULE-2444658281-0
- Component type: Counter Ion
-
MCULE-5305583557-0
- Component type: Counter Ion
-
MCULE-6293065295-0
- Component type: Counter Ion
-
MCULE-6293065295-1
- Component type: Counter Ion
-
MCULE-2209804037-0
- Component type: Counter Ion
-
MCULE-8459028353-0
- Component type: Counter Ion
-
MCULE-7838408162-0
- Component type: Counter Ion
-
MCULE-1676919149-0
- Component type: Counter Ion
-
MCULE-9509442612-0
- Component type: Counter Ion
-
MCULE-5140635020-0
- Component type: Counter Ion
-
MCULE-7486928558-0
- Component type: Counter Ion
-
MCULE-1012366101-0
- Component type: Counter Ion
-
MCULE-4243842724-0
- Component type: Counter Ion
-
MCULE-7829396683-0
- Component type: Counter Ion
-
MCULE-1804285446-0
- Component type: Counter Ion
-
MCULE-4764245241-0
- Component type: Counter Ion
-
MCULE-9244521233-0
- Component type: Counter Ion
-
MCULE-4358223174-0
- Component type: Counter Ion
-
MCULE-7955165183-0
- Component type: Counter Ion
-
MCULE-5780221880-0
- Component type: Counter Ion
-
MCULE-2473609363-0
- Component type: Counter Ion
-
MCULE-8140178382-0
- Component type: Counter Ion
-
MCULE-1129308393-0
- Component type: Counter Ion
-
MCULE-3977455512-0
- Component type: Counter Ion
-
MCULE-5866074533-0
- Component type: Counter Ion
-
MCULE-3360089794-0
- Component type: Counter Ion
-
MCULE-2750448900-0
- Component type: Counter Ion
-
MCULE-5221276271-0
- Component type: Counter Ion
-
MCULE-9832551886-0
- Component type: Counter Ion
-
MCULE-9224975872-0
- Component type: Counter Ion
-
MCULE-4595264440-0
- Component type: Counter Ion
-
MCULE-3173280803-0
- Component type: Counter Ion
-
MCULE-1303325807-0
- Component type: Counter Ion
-
MCULE-5814599492-0
- Component type: Counter Ion
-
MCULE-9766138074-0
- Component type: Counter Ion
-
MCULE-3061128016-0
- Component type: Counter Ion
-
MCULE-3711883524-0
- Component type: Counter Ion
-
MCULE-1506963069-0
- Component type: Counter Ion
-
MCULE-1846506248-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3867000095-0.sdf |
SMILES | MCULE-3867000095-0.smiles |
Standard InChI | MCULE-3867000095-0.inchi |
InChIKey | MCULE-3867000095-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867638039 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-867399401 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867522876 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-875803382 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874615406 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606940595 | AmBeed | In stock | N/A | As is | in stock |
P-489119046 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596968207 | Angene | Building Blocks in stock | 95 | As is | 8.35 kg |
P-895944143 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-590619706 | BLD pharm | In-stock building blocks | 95 | As is | 5.85 kg |
P-893238072 | Biosynth | In Stock | 95 | As is | in stock |
P-881633692 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868573070 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580301874 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-500418176 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-870662850 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
P-608220290 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-890849887 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488544575 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-14014327 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
P-855930906 | Key Organics | Building Blocks | 97 | As is | 500 g |
P-524193936 | Key Organics | Building Blocks | 98 | As is | 500 g |
P-454417584 | Key Organics | Building Blocks | 95 | As is | 427.621 g |
P-873254745 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.02 g |
P-613281934 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852467839 | Matrix Scientific | All | N/A | As is | in stock |
P-619673452 | Molnova | Stock | 98 | As is | in stock |
P-424124811 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-454364176 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-19546800 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491079982 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-594274867 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869177837 | TargetMol | Natural Products | 95 | As is | in stock |
P-892296241 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892338632 | TargetMol | Screening Compounds - stock amount | 95 | As is | 51 mg |
P-855251834 | Toronto Research | In stock | 90 | As is | in stock |
P-1211947 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.186 g |
P-3228458 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.186 g |
P-893968909 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-575325299 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 150.087 |
logP | -2.1226 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 115.06 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 27.2092 |
Atoms | 16 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 6 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |