Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1681387071
Compound
Show structures
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 56 USD | 95 | 7 working days | Get Quote |
| 10 mg | 86 USD | 95 | 7 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-5861250214
- Component type: Main
-
MCULE-2473348309
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1681387071.sdf |
| SMILES | MCULE-1681387071.smiles |
| Standard InChI | MCULE-1681387071.inchi |
| InChIKey | MCULE-1681387071.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867673410 | 99 | As is | in stock |
| P-875847658 | N/A | As is | in stock |
| P-869209765 | 95 | As is | in stock |
| P-871256659 | N/A | As is | by synthesis |
| P-865928648 | 98 | As is | 300 mg |
| P-889520110 | 95 | As is | by synthesis |
| P-893256021 | 95 | As is | by synthesis |
| P-904227696 | 95 | As is | by synthesis |
| P-904243151 | 95 | As is | unavailable |
| P-855352333 | 90 | As is | in stock |
| P-872842149 | 98 | As a main component | in stock |
| P-901244795 | N/A | As a main component | by synthesis |
| P-871255995 | N/A | As a main component | in stock |
| P-892194305 | 98 | As a main component | 75 mg |
| P-889788701 | 95 | As a main component | in stock |
| P-892286007 | 95 | As a main component | by synthesis |
| P-892302047 | 95 | As a main component | unavailable |
| P-892357795 | 95 | As a main component | 51 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 490.469 |
| logP | -2.2146 |
| H-bond acceptors | 17 |
| H-bond donors | 11 |
| Rotatable bonds | 21 |
| PSA | 299.15 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 112.3524 |
| Atoms | 64 |
| Rings | 0 |
| Heavy atoms | 34 |
| Hydrogen atoms | 30 |
| Heteroatoms | 17 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
