Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3536027321
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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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-2676284364
- Component type: Main
-
MCULE-7229907816
- Component type: Main
-
MCULE-6546772895
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3536027321.sdf |
| SMILES | MCULE-3536027321.smiles |
| Standard InChI | MCULE-3536027321.inchi |
| InChIKey | MCULE-3536027321.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586153 | 95 | As is | in stock |
| P-875745230 | 95 | As is | in stock |
| P-588246520 | 98 | As is | in stock |
| P-596984164 | 98 | As is | 600 g |
| P-905439897 | 95 | As is | by synthesis |
| P-893232567 | 95 | As is | in stock |
| P-500393441 | 98 | As is | by synthesis |
| P-502370450 | 90 | As is | in stock |
| P-867586154 | 98 | As a main component | in stock |
| P-875745231 | 97 | As a main component | in stock |
| P-901305582 | 98 | As a main component | in stock |
| P-881671892 | 95 | As a main component | in stock |
| P-505389772 | 98 | As a main component | in stock |
| P-869262709 | 95 | As a main component | in stock |
| P-580237297 | 95 | As a main component | by synthesis |
| P-851508242 | N/A | As a main component | by synthesis |
| P-596954411 | 98 | As a main component | 7.5 kg |
| P-864085531 | 97 | As a main component | in stock |
| P-901335017 | 95 | As a main component | in stock |
| P-893232664 | 95 | As a main component | in stock |
| P-580303457 | 95 | As a main component | by resynthesis (? - ? days) |
| P-505528720 | 95 | As a main component | in stock |
| P-488544502 | 90 | As a main component | in stock |
| P-454364118 | 92 | As a main component | in stock |
| P-500410372 | N/A | As a main component | by synthesis |
| P-500378194 | 98 | As a main component | by synthesis |
| P-502329141 | 90 | As a main component | in stock |
| P-611350884 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 146.188 |
| logP | 0.9279 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 89.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 38.1426 |
| Atoms | 24 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
