Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1113222985-1
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-4228003322-0
- Component type: Counter Ion
-
MCULE-9714174953-0
- Component type: Counter Ion
-
MCULE-3868318472-0
- Component type: Counter Ion
-
MCULE-3792204389-0
- Component type: Counter Ion
-
MCULE-6474018239-0
- Component type: Counter Ion
-
MCULE-4232364936-0
- Component type: Counter Ion
-
MCULE-3099397273-0
- Component type: Counter Ion
-
MCULE-7804068322-0
- Component type: Counter Ion
-
MCULE-7015189754-0
- Component type: Counter Ion
-
MCULE-6046117534-0
- Component type: Counter Ion
-
MCULE-5775228543-0
- Component type: Counter Ion
-
MCULE-9375103807-0
- Component type: Counter Ion
-
MCULE-1577049256-0
- Component type: Counter Ion
-
MCULE-3882936780-0
- Component type: Counter Ion
-
MCULE-6233312328-0
- Component type: Counter Ion
-
MCULE-2732050685-0
- Component type: Counter Ion
-
MCULE-8090308275-0
- Component type: Counter Ion
-
MCULE-6391365404-0
- Component type: Counter Ion
-
MCULE-1710028600-0
- Component type: Counter Ion
-
MCULE-4291299712-0
- Component type: Counter Ion
-
MCULE-1777550656-0
- Component type: Counter Ion
-
MCULE-6921949374-0
- Component type: Counter Ion
-
MCULE-3563466747-0
- Component type: Counter Ion
-
MCULE-4391295432-0
- Component type: Counter Ion
-
MCULE-3807213627-0
- Component type: Counter Ion
-
MCULE-3614404271-0
- Component type: Counter Ion
-
MCULE-1353591444-0
- Component type: Counter Ion
-
MCULE-4835580308-0
- Component type: Counter Ion
-
MCULE-9406670321-0
- Component type: Counter Ion
-
MCULE-4773776655-0
- Component type: Counter Ion
-
MCULE-8578975033-0
- Component type: Counter Ion
-
MCULE-3731894087-0
- Component type: Counter Ion
-
MCULE-4152502074-0
- Component type: Counter Ion
-
MCULE-9065494834-0
- Component type: Counter Ion
-
MCULE-6724640639-0
- Component type: Counter Ion
-
MCULE-8916017781-0
- Component type: Counter Ion
-
MCULE-5066621231-0
- Component type: Counter Ion
-
MCULE-7199956470-0
- Component type: Counter Ion
-
MCULE-4751376350-0
- Component type: Counter Ion
-
MCULE-5727399555-0
- Component type: Counter Ion
-
MCULE-4991361143-0
- Component type: Counter Ion
-
MCULE-2194441577-0
- Component type: Counter Ion
-
MCULE-7198224466-0
- Component type: Counter Ion
-
MCULE-5631877239-0
- Component type: Counter Ion
-
MCULE-3346115083-0
- Component type: Counter Ion
-
MCULE-9478692581-0
- Component type: Counter Ion
-
MCULE-3580538201-0
- Component type: Counter Ion
-
MCULE-5243531080-0
- Component type: Counter Ion
-
MCULE-5427040172-0
- Component type: Counter Ion
-
MCULE-6395322411-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1113222985-1.sdf |
| SMILES | MCULE-1113222985-1.smiles |
| Standard InChI | MCULE-1113222985-1.inchi |
| InChIKey | MCULE-1113222985-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875729488 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489119991 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889740712 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 2.4 kg |
| P-881633715 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-868612616 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-852504791 | Matrix Scientific | All | N/A | As is | in stock |
| P-854693510 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584621128 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619672475 | Molnova | Stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.072 |
| logP | -0.2882 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 24.4116 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
