G211-0176 Screening compound: 2-cyclohexyl-N-[(4-methylphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide

G211-0176 Screening compound: 2-cyclohexyl-N-[(4-methylphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide
G211-0176 Screening compound: 2-cyclohexyl-N-[(4-methylphenyl)methyl]-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G211-0176
2-cyclohexyl-N-[(4-methylphenyl)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

G211-0176

Molecular Formula

C26H27N3O2 (C26 H27 N3 O2)

Compound Name

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

IUPAC name

2-cyclohexyl-N-[(4-methylphenyl)methyl]-3-oxo-1H2H3H-pyrrolo[34-b]quinoline-9-carboxamide

SMILES

Cc1ccc(CNC(c2c(CN(C3CCCCC3)C3=O)c3nc3ccccc23)=O)cc1

InChI

InChI=1S/C26H27N3O2/c1-17-11-13-18(14-12-17)15-27-25(30)23-20-9-5-6-10-22(20)28-24-21(23)16-29(26(24)31)19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,27,30)

InChI Key

PXCPKCCCDMMUCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.83

Polar Surface Area

49.877

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G211-0176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G211-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G211-0176?
Check Price and Availability of G211-0176, 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 G211-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G211-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G211-0176
  • 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 G211-0176 available by request