Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4454617201-0
Structure
Show compound
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 | 24 USD | 93 | 17 working days | Get Quote |
| 5 mg | 24 USD | 93 | 17 working days | Get Quote |
| 10 mg | 24 USD | 93 | 17 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-4501597306-0
- Component type: Main
-
MCULE-1133833023-0
- Component type: Main
-
MCULE-2466744700-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4454617201-0.sdf |
| SMILES | MCULE-4454617201-0.smiles |
| Standard InChI | MCULE-4454617201-0.inchi |
| InChIKey | MCULE-4454617201-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867635959 | N/A | As is | in stock |
| P-875801145 | N/A | As is | in stock |
| P-869191671 | 95 | As is | in stock |
| P-505350170 | 98 | As is | in stock |
| P-903156129 | 98 | As is | 75 g |
| P-489177692 | 97 | As is | in stock |
| P-596989937 | 98 | As is | 10 g |
| P-870025019 | 90 | As is | 1000 mg |
| P-596514800 | 90 | As is | 1000 mg |
| P-864145461 | 95 | As is | in stock |
| P-901458091 | 95 | As is | by synthesis |
| P-454691254 | 90 | As is | in stock |
| P-580424272 | 95 | As is | by resynthesis (? - ? days) |
| P-575335799 | 95 | As is | in stock |
| P-492218072 | 95 | As is | in stock |
| P-870136948 | 95 | As is | 10 g |
| P-901962843 | 93 | As is | 327 mg |
| P-666778012 | 90 | As is | 327 mg |
| P-611664734 | N/A | As is | by synthesis |
| P-852384051 | N/A | As is | in stock |
| P-895274869 | 95 | As is | by synthesis |
| P-500394318 | 97 | As is | by synthesis |
| P-856063329 | 95 | As is | in stock |
| P-33464366 | 90 | As is | in stock |
| P-502329016 | 90 | As is | in stock |
| P-903644867 | 94 | As is | by resynthesis (? - ? days) |
| P-906866964 | 98 | As is | by synthesis |
| P-611492921 | 90 | As is | in stock |
| P-611372418 | 90 | As is | in stock |
| P-872754229 | 95 | As is | in stock |
| P-867670844 | 95 | As a main component | in stock |
| P-886677743 | 95 | As a main component | in stock |
| P-867404977 | N/A | As a main component | by synthesis |
| P-889978632 | N/A | As a main component | by synthesis |
| P-875844571 | N/A | As a main component | in stock |
| P-869284206 | 95 | As a main component | in stock |
| P-903242717 | 95 | As a main component | 500 mg |
| P-893485864 | 90 | As a main component | 30 g |
| P-901458308 | 95 | As a main component | by synthesis |
| P-616228006 | 95 | As a main component | in stock |
| P-4157313 | 90 | As a main component | 5 mg |
| P-617652727 | 90 | As a main component | in stock |
| P-619311433 | 90 | As a main component | 24 mg |
| P-34526236 | 90 | As a main component | by synthesis |
| P-580785273 | 90 | As a main component | by resynthesis (? - ? days) |
| P-580772671 | 90 | As a main component | in stock |
| P-580487158 | 95 | As a main component | by synthesis |
| P-852604808 | N/A | As a main component | in stock |
| P-675092397 | 90 | As a main component | in stock |
| P-611398412 | 90 | As a main component | in stock |
| P-617737054 | 90 | As a main component | 755 mg |
| P-893668145 | 95 | As a main component | by synthesis |
| P-893743490 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.248 |
| logP | 1.4976 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 62.0077 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
