Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5044523549
Compound
Show structures
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 | 6 USD | 96 | 14 working days | Get Quote |
| 5 mg | 6 USD | 96 | 14 working days | Get Quote |
| 10 mg | 6 USD | 96 | 14 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-5044523549.sdf |
| SMILES | MCULE-5044523549.smiles |
| Standard InChI | MCULE-5044523549.inchi |
| InChIKey | MCULE-5044523549.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867550748 | 96 | As is | in stock |
| P-875708562 | 96 | As is | in stock |
| P-890250570 | 97 | As is | by synthesis |
| P-597028343 | 95 | As is | unavailable |
| P-1275159341 | 95 | As is | in stock |
| P-1275193582 | 98 | As is | in stock |
| P-903034013 | 96 | As is | 150 g |
| P-893559741 | 90 | As is | 1.21097 kg |
| P-1270329445 | 96 | As is | in stock |
| P-580244774 | 95 | As is | by synthesis |
| P-617062492 | 95 | As is | in stock |
| P-606911389 | N/A | As is | in stock |
| P-489147798 | 97 | As is | in stock |
| P-596941464 | 96 | As is | 375 g |
| P-895921079 | 95 | As is | by resynthesis (? - ? days) |
| P-864105088 | 95 | As is | in stock |
| P-590607800 | 96 | As is | 11.25 g |
| P-851307451 | 95 | As is | by synthesis |
| P-887966703 | 97 | As is | in stock |
| P-580289730 | N/A | As is | by resynthesis (? - ? days) |
| P-905341213 | 96 | As is | 21 g |
| P-862012267 | 96 | As is | 448.97 g |
| P-524168162 | 98 | As is | 250 mg |
| P-579629586 | 95 | As is | in stock |
| P-1272591965 | 95 | As is | 25 g |
| P-852488472 | 95 | As is | by synthesis |
| P-854743852 | 95 | As is | in stock |
| P-906878293 | 96 | As is | by synthesis |
| P-615655199 | 95 | As is | unavailable |
| P-1271648285 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.017 |
| logP | 2.2662 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.1762 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
