Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4590499575
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 | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 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-4590499575.sdf |
| SMILES | MCULE-4590499575.smiles |
| Standard InChI | MCULE-4590499575.inchi |
| InChIKey | MCULE-4590499575.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565322 | 97 | As is | in stock |
| P-875725194 | N/A | As is | in stock |
| P-535622728 | 99 | As is | in stock |
| P-881672219 | 98 | As is | in stock |
| P-903054343 | 98 | As is | 10 kg |
| P-580198128 | 95 | As is | 95 g |
| P-606850175 | N/A | As is | in stock |
| P-489210161 | 97 | As is | in stock |
| P-596982769 | 98 | As is | 10 kg |
| P-494352306 | 95 | As is | 200.7 g |
| P-864186253 | 98 | As is | in stock |
| P-580699830 | 97 | As is | 3.285 kg |
| P-893234459 | 95 | As is | in stock |
| P-868612944 | 98 | As is | in stock |
| P-580304935 | 95 | As is | by resynthesis (? - ? days) |
| P-579719866 | N/A | As is | by resynthesis (? - ? days) |
| P-862056230 | 95 | As is | 26.8888 kg |
| P-905349957 | 95 | As is | 25 g |
| P-870657330 | N/A | As is | in stock |
| P-504609532 | 90 | As is | by synthesis |
| P-890849262 | 95 | As is | in stock |
| P-454351607 | 97 | As is | 469 mg |
| P-454416918 | 97 | As is | 500 g |
| P-579616611 | 99 | As is | 890 g |
| P-852505709 | N/A | As is | in stock |
| P-855402025 | 95 | As is | in stock |
| P-12633671 | 90 | As is | 250 mg |
| P-620222710 | 95 | As is | 1000 mg |
| P-885539366 | 95 | As is | by synthesis |
| P-896080619 | N/A | As is | 66.181 g |
| P-596783623 | 95 | As is | 3.27 kg |
| P-502371187 | 90 | As is | in stock |
| P-906781039 | 98 | As is | by synthesis |
| P-611434179 | 90 | As is | in stock |
| P-893987391 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 150.174 |
| logP | 1.7816 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.6875 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
