MCULE-9904039894
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 53 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 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-9904039894.sdf |
SMILES | MCULE-9904039894.smiles |
Standard InChI | MCULE-9904039894.inchi |
InChIKey | MCULE-9904039894.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886594591 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-890153220 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615720879 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851448473 | AmBeed | On request | N/A | As is | by synthesis |
P-605399507 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-590773841 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-504733815 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-607763213 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-580777957 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580767232 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-861946385 | FluoroChem | General BB | N/A | As is | in stock |
P-488551113 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13754940 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595019 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-856002461 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-852430928 | Matrix Scientific | All | N/A | As is | in stock |
P-454372198 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13979782 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-491082202 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-605208744 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33466769 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502343773 | TimTec | Building Block Collection | 90 | As is | in stock |
P-35121391 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
P-464683890 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 105 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 174.583 |
logP | 0.866 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 44.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 39.5645 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |