C066-4858 Screening compound: 2-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide

C066-4858 Screening compound: 2-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide
C066-4858 Screening compound: 2-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4858
2-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-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

C066-4858

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

2-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide

IUPAC name

2-cyclohexyl-N-[(24-dimethoxyphenyl)methyl]-3-oxo-1H2H3H-pyrrolo[34-b]quinoline-9-carboxamide

SMILES

COc1cc(OC)c(CNC(c2c(CN(C3CCCCC3)C3=O)c3nc3ccccc23)=O)cc1

InChI

InChI=1S/C27H29N3O4/c1-33-19-13-12-17(23(14-19)34-2)15-28-26(31)24-20-10-6-7-11-22(20)29-25-21(24)16-30(27(25)32)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15-16H2,1-2H3,(H,28,31)

InChI Key

IPESRDPCLWOYLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.59

Polar Surface Area

65.052

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C066-4858 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C066-4858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4858?
Check Price and Availability of C066-4858, 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.
What is the minimum amount of C066-4858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4858
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C066-4858 available by request