C906-0590 Screening compound: N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C906-0590
N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
C906-0590
Molecular Formula
C25H33N3O3 (C25 H33 N3 O3)
Compound Name
N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
IUPAC name
N-benzyl-4-({[2-(4-methylpiperidin-1-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
SMILES
CC(CC1)CCN1C(C(C1=O)=O)=C1NCC(CC1)CCC1C(NCc1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
423.56
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.583
Distribution Coefficient, logD
3.582
Water Solubility, LogSw
-3.60
Polar Surface Area
65.464
Acid Dissociation Constant (pKa)
10.89
Base Dissociation Constant (pKb)
1.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
56.00
C906-0590 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
CORONAVIRUS Library (20774 compounds)
Dark Chemical Matter Library (18430 compounds)
Human Proteases Annotated Library (2868 compounds)
PLpro Library (6343 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Immune system
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with C906-0590 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of C906-0590, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)