MCULE-6909769402
- 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 | 21 USD | N/A | 9 working days | Get Quote |
5 mg | 21 USD | N/A | 9 working days | Get Quote |
10 mg | 21 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.
Name | File |
---|---|
SDF | MCULE-6909769402.sdf |
SMILES | MCULE-6909769402.smiles |
Standard InChI | MCULE-6909769402.inchi |
InChIKey | MCULE-6909769402.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867605470 | 95 | As is | in stock |
P-875763189 | N/A | As is | in stock |
P-595214923 | 95 | As is | in stock |
P-903100433 | 95 | As is | 3 g |
P-893518569 | 90 | As is | 124.41 g |
P-606875350 | N/A | As is | in stock |
P-489216535 | 97 | As is | in stock |
P-596993486 | 95 | As is | 22 g |
P-494381326 | 95 | As is | by resynthesis (? - ? days) |
P-864108727 | 95 | As is | in stock |
P-590738783 | 95 | As is | by synthesis |
P-861484047 | 95 | As is | by synthesis |
P-18752197 | 95 | As is | 56.631 g |
P-454399821 | 95 | As is | 56.631 g |
P-852414411 | N/A | As is | in stock |
P-854769048 | 95 | As is | by synthesis |
P-889870857 | 95 | As is | by synthesis |
P-502361815 | 90 | As is | in stock |
P-611477874 | 90 | As is | in stock |
P-615417515 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 253.208 |
logP | 1.5476 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 98.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 62.028 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 11 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |