C906-0511 Screening compound: N-(4-ethoxyphenyl)-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 C906-0511
N-(4-ethoxyphenyl)-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
C906-0511
Molecular Formula
C26H35N3O4 (C26 H35 N3 O4)
Compound Name
N-(4-ethoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
IUPAC name
N-(4-ethoxyphenyl)-4-({[2-(4-methylpiperidin-1-yl)-34-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
SMILES
CCOc(cc1)ccc1NC(C1CCC(CNC(C(C2=O)=O)=C2N2CCC(C)CC2)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
453.58
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.263
Distribution Coefficient, logD
4.263
Water Solubility, LogSw
-4.00
Polar Surface Area
71.266
Acid Dissociation Constant (pKa)
10.89
Base Dissociation Constant (pKb)
1.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
57.70
C906-0511 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 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
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with C906-0511 chemical compound. It will be published here after verification.
Frequently Asked Questions
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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)