Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2737198453
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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.
-
MCULE-8696647976
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2737198453.sdf |
| SMILES | MCULE-2737198453.smiles |
| Standard InChI | MCULE-2737198453.inchi |
| InChIKey | MCULE-2737198453.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565933 | 98 | As is | in stock |
| P-867636035 | 95 | As is | in stock |
| P-872799413 | 95 | As is | by synthesis |
| P-867404748 | N/A | As is | by synthesis |
| P-869183944 | 95 | As is | in stock |
| P-505393812 | 98 | As is | in stock |
| P-606870479 | N/A | As is | in stock |
| P-606913724 | N/A | As is | in stock |
| P-596929178 | 97 | As is | 2.3 kg |
| P-619177445 | 95 | As is | 10 kg |
| P-864169515 | 95 | As is | in stock |
| P-864131426 | 95 | As is | in stock |
| P-871214921 | 95 | As is | by synthesis |
| P-905409690 | 97 | As is | 4.06524 kg |
| P-905354910 | 97 | As is | 220 g |
| P-905324191 | 95 | As is | 94 g |
| P-870659334 | 98 | As is | in stock |
| P-870660761 | 96 | As is | in stock |
| P-505516024 | 95 | As is | in stock |
| P-580048449 | 90 | As is | by synthesis |
| P-488542968 | 90 | As is | in stock |
| P-13903685 | 95 | As is | 300 mg |
| P-873254743 | 95 | As is | 5 g |
| P-524166214 | 97 | As is | 100 g |
| P-855983801 | 95 | As is | 100 g |
| P-675208277 | 95 | As is | by synthesis |
| P-580511817 | 96 | As is | 245 g |
| P-454364361 | 92 | As is | in stock |
| P-500412053 | 98 | As is | by synthesis |
| P-885528500 | 95 | As is | by synthesis |
| P-605214790 | 90 | As is | in stock |
| P-617402430 | N/A | As is | in stock |
| P-851370303 | 99 | As is | 1.881 kg |
| P-904259465 | 95 | As is | in stock |
| P-904227503 | 95 | As is | by synthesis |
| P-892274383 | 95 | As is | by synthesis |
| P-869178335 | 95 | As is | in stock |
| P-892299265 | 95 | As is | unavailable |
| P-904243007 | 95 | As is | unavailable |
| P-892350818 | 95 | As is | 1.055 g |
| P-502335751 | 90 | As is | in stock |
| P-33162963 | 90 | As is | 1000 mg |
| P-906757647 | 99 | As is | by synthesis |
| P-611525678 | 90 | As is | in stock |
| P-611401366 | 90 | As is | in stock |
| P-611401406 | 90 | As is | in stock |
| P-35133710 | 90 | As is | 1000 mg |
| P-464681282 | 90 | As is | 1000 mg |
| P-666966824 | 95 | As is | in stock |
| P-888827758 | 97 | As a main component | 5 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.366 |
| logP | 4.3979 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.9588 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 26 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
