MCULE-6585933943-0
- 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 | 12 USD | N/A | 22 working days | Get Quote |
5 mg | 12 USD | N/A | 22 working days | Get Quote |
10 mg | 12 USD | N/A | 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.
Name | File |
---|---|
SDF | MCULE-6585933943-0.sdf |
SMILES | MCULE-6585933943-0.smiles |
Standard InChI | MCULE-6585933943-0.inchi |
InChIKey | MCULE-6585933943-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867661410 | N/A | As is | in stock |
P-875830331 | N/A | As is | in stock |
P-535626981 | 95 | As is | in stock |
P-505351378 | 98 | As is | in stock |
P-505389005 | 98 | As is | in stock |
P-597006240 | 98 | As is | unavailable |
P-580194863 | 98 | As is | in stock |
P-494345323 | 95 | As is | 751.07 g |
P-869645775 | 90 | As is | 490 mg |
P-904969784 | 98 | As is | by synthesis |
P-893219126 | 95 | As is | in stock |
P-893231233 | 95 | As is | in stock |
P-505572606 | 98 | As is | in stock |
P-619298226 | 90 | As is | 13 mg |
P-34859066 | 90 | As is | in stock |
P-851268180 | 95 | As is | by synthesis |
P-580450299 | 99 | As is | in stock |
P-868644562 | 98 | As is | in stock |
P-34742283 | 90 | As is | in stock |
P-579476677 | 95 | As is | in stock |
P-500417608 | 98 | As is | in stock |
P-870662288 | 98 | As is | in stock |
P-505492173 | 95 | As is | in stock |
P-502939326 | 90 | As is | in stock |
P-492243230 | 95 | As is | in stock |
P-488556009 | 92 | As is | in stock |
P-454294918 | 95 | As is | 186 mg |
P-454390649 | 95 | As is | 50 g |
P-31155335 | 90 | As is | unavailable |
P-856044972 | 90 | As is | unavailable |
P-14192710 | 90 | As is | 90 mg |
P-852547027 | N/A | As is | in stock |
P-35213484 | 90 | As is | 5.864 kg |
P-854715368 | 95 | As is | in stock |
P-895185026 | 95 | As is | in stock |
P-474024010 | 95 | As is | in stock |
P-608276104 | 98 | As is | in stock |
P-650815193 | 90 | As is | by synthesis |
P-620227095 | 95 | As is | 1000 mg |
P-26464280 | 90 | As is | 1000 mg |
P-19450955 | 90 | As is | in stock |
P-579710377 | N/A | As is | in stock |
P-12389474 | 90 | As is | 22 mg |
P-869118104 | 95 | As is | by synthesis |
P-892288733 | 95 | As is | 1.155 g |
P-888633215 | 95 | As is | 1.155 g |
P-502365070 | 90 | As is | in stock |
P-22478554 | 90 | As is | 39 mg |
P-611363069 | 90 | As is | in stock |
P-855011925 | 90 | As is | in stock |
P-855011927 | 90 | As is | in stock |
P-1183082 | 90 | As is | 125 mg |
P-666969772 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 297.743 |
logP | 2.9774 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 1 |
PSA | 135.12 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.5768 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 8 |
Heteroatoms | 10 |
N/O atoms | 7 |
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 |