Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1591095421
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 5 USD | 93 | 14 working days | Get Quote |
| 5 mg | 5 USD | 93 | 14 working days | Get Quote |
| 10 mg | 5 USD | 93 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1591095421.sdf |
| SMILES | MCULE-1591095421.smiles |
| Standard InChI | MCULE-1591095421.inchi |
| InChIKey | MCULE-1591095421.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564195 | 97 | As is | in stock |
| P-875723695 | 96 | As is | in stock |
| P-869186035 | 95 | As is | in stock |
| P-590385852 | 98 | As is | in stock |
| P-903052872 | 93 | As is | 6 kg |
| P-905487845 | 98 | As is | 1000 g |
| P-580198384 | 95 | As is | 5 g |
| P-606930637 | N/A | As is | in stock |
| P-489185936 | 97 | As is | in stock |
| P-596946353 | 93 | As is | 6 kg |
| P-494345615 | 95 | As is | 3.75 g |
| P-864100953 | 95 | As is | in stock |
| P-580735239 | 97 | As is | 795 g |
| P-868582580 | 98 | As is | in stock |
| P-580282255 | N/A | As is | by resynthesis (? - ? days) |
| P-862032775 | 93 | As is | 871.5 g |
| P-905347004 | 93 | As is | 871.5 g |
| P-494300702 | 98 | As is | in stock |
| P-579484496 | 90 | As is | 2.105 g |
| P-890204825 | 90 | As is | 2.105 g |
| P-502528540 | 95 | As is | by synthesis |
| P-488549480 | 90 | As is | in stock |
| P-13768201 | 95 | As is | 300 mg |
| P-454320862 | 95 | As is | 329 mg |
| P-454401988 | 95 | As is | 500 mg |
| P-31234102 | 90 | As is | unavailable |
| P-856042607 | 90 | As is | unavailable |
| P-613283829 | 95 | As is | by synthesis |
| P-611662554 | N/A | As is | 247 g |
| P-852505831 | N/A | As is | in stock |
| P-855402221 | 95 | As is | in stock |
| P-454368164 | 92 | As is | in stock |
| P-864655318 | 92 | As is | 300 mg |
| P-885544160 | 95 | As is | by synthesis |
| P-23969516 | 90 | As is | in stock |
| P-596787327 | 97 | As is | 1.255 kg |
| P-502332801 | 90 | As is | in stock |
| P-906773346 | 99 | As is | by synthesis |
| P-611517388 | 90 | As is | in stock |
| P-893924200 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.238 |
| logP | 2.9133 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.529 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
