Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7681442634-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-7681442634-0.sdf |
| SMILES | MCULE-7681442634-0.smiles |
| Standard InChI | MCULE-7681442634-0.inchi |
| InChIKey | MCULE-7681442634-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852131113 | 90 | As is | by synthesis |
| P-867443094 | N/A | As is | by synthesis |
| P-894670048 | 95 | As is | in stock |
| P-900258963 | N/A | As is | in stock |
| P-595588262 | 90 | As is | 1000 mg |
| P-596482144 | 90 | As is | 1000 mg |
| P-904979439 | 95 | As is | by synthesis |
| P-901921465 | 97 | As is | 7.225 g |
| P-1263291794 | 95 | As is | by synthesis |
| P-34803726 | 90 | As is | in stock |
| P-502531039 | 95 | As is | by synthesis |
| P-504267814 | 90 | As is | by synthesis |
| P-502686522 | 90 | As is | in stock |
| P-18804878 | 90 | As is | 4.334 g |
| P-454399489 | 90 | As is | 4.334 g |
| P-467885442 | 95 | As is | by synthesis |
| P-862530618 | N/A | As is | by synthesis |
| P-852383634 | N/A | As is | in stock |
| P-854912125 | 95 | As is | by synthesis |
| P-34054560 | 90 | As is | 100 mg |
| P-19312944 | 90 | As is | in stock |
| P-502335212 | 90 | As is | in stock |
| P-903643045 | 94 | As is | by resynthesis (? - ? days) |
| P-22633984 | 90 | As is | 7 mg |
| P-855247549 | 90 | As is | in stock |
| P-1132776 | 90 | As is | 111 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.293 |
| logP | 1.8122 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 83.86 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.2865 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
