Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2100126557
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-4932461593
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2100126557.sdf |
| SMILES | MCULE-2100126557.smiles |
| Standard InChI | MCULE-2100126557.inchi |
| InChIKey | MCULE-2100126557.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867489546 | N/A | As is | by synthesis |
| P-905473128 | 95 | As is | in stock |
| P-870652385 | N/A | As is | in stock |
| P-505518218 | 95 | As is | in stock |
| P-899786242 | 97 | As is | 5 mg |
| P-579673084 | 95 | As is | by resynthesis (? - ? days) |
| P-895200227 | 95 | As is | by synthesis |
| P-869126641 | 95 | As is | by synthesis |
| P-888639972 | 95 | As is | unavailable |
| P-867572056 | 98 | As a main component | in stock |
| P-875733255 | N/A | As a main component | in stock |
| P-597025057 | 95 | As a main component | in stock |
| P-869195579 | 97 | As a main component | in stock |
| P-590379442 | 99 | As a main component | in stock |
| P-903062244 | 99 | As a main component | 200 g |
| P-580245644 | 95 | As a main component | by synthesis |
| P-606916110 | N/A | As a main component | in stock |
| P-489238445 | 97 | As a main component | in stock |
| P-596987765 | 99 | As a main component | 200 g |
| P-580195435 | 98 | As a main component | in stock |
| P-864108035 | 95 | As a main component | in stock |
| P-580707251 | 98 | As a main component | 103 mg |
| P-893218979 | 95 | As a main component | in stock |
| P-505572545 | 98 | As a main component | in stock |
| P-901649532 | 99 | As a main component | in stock |
| P-505491417 | 95 | As a main component | in stock |
| P-575366108 | 95 | As a main component | 100 mg |
| P-579615792 | 98 | As a main component | unavailable |
| P-856045227 | 90 | As a main component | 2 g |
| P-31194596 | 90 | As a main component | 2 g |
| P-580460141 | 97 | As a main component | by synthesis |
| P-852495775 | N/A | As a main component | in stock |
| P-899992308 | 95 | As a main component | by synthesis |
| P-854712544 | 95 | As a main component | in stock |
| P-871067996 | 95 | As a main component | in stock |
| P-608274856 | 98 | As a main component | in stock |
| P-500411551 | 95 | As a main component | by synthesis |
| P-885543617 | 95 | As a main component | by synthesis |
| P-579711837 | N/A | As a main component | in stock |
| P-869108137 | 95 | As a main component | by synthesis |
| P-892286808 | 95 | As a main component | unavailable |
| P-888627174 | 95 | As a main component | 201 mg |
| P-502330872 | 90 | As a main component | in stock |
| P-22494500 | 90 | As a main component | 1000 mg |
| P-906890128 | 98 | As a main component | by synthesis |
| P-906863533 | 99 | As a main component | by synthesis |
| P-611378319 | 90 | As a main component | in stock |
| P-611460773 | 90 | As a main component | in stock |
| P-611397346 | 90 | As a main component | in stock |
| P-666968121 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.444 |
| logP | 4.1265 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 100.0928 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 27 |
| 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 |
