Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1025464251-0
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 50 USD | 98 | 22 working days | Get Quote |
| 10 mg | 75 USD | 98 | 22 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.
-
MCULE-7724923243-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1025464251-0.sdf |
| SMILES | MCULE-1025464251-0.smiles |
| Standard InChI | MCULE-1025464251-0.inchi |
| InChIKey | MCULE-1025464251-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886646504 | 98 | As is | in stock |
| P-890165515 | 98 | As is | in stock |
| P-1263106717 | N/A | As is | by synthesis |
| P-1275488052 | 95 | As is | in stock |
| P-505530383 | 95 | As is | in stock |
| P-500392466 | 98 | As is | by synthesis |
| P-892252751 | 95 | As is | unavailable |
| P-892337707 | 95 | As is | unavailable |
| P-666984236 | 98 | As is | in stock |
| P-867673380 | 98 | As a main component | in stock |
| P-875847609 | 98 | As a main component | in stock |
| P-505351343 | 98 | As a main component | by resynthesis (? - ? days) |
| P-1270359471 | 99 | As a main component | in stock |
| P-856053174 | 95 | As a main component | by synthesis |
| P-872713661 | N/A | As a main component | in stock |
| P-596986046 | 99 | As a main component | 250 mg |
| P-864150024 | 95 | As a main component | in stock |
| P-893232078 | 95 | As a main component | in stock |
| P-860799276 | 98 | As a main component | in stock |
| P-505521310 | 95 | As a main component | in stock |
| P-892296523 | 95 | As a main component | unavailable |
| P-869161770 | 95 | As a main component | 199 mg |
| P-888657166 | 95 | As a main component | 199 mg |
| P-611356528 | 90 | As a main component | in stock |
| P-480967705 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 497.492 |
| logP | 1.7206 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 176.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 125.008 |
| Atoms | 63 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 27 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
