G211-0077 Screening compound: ethyl 2-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}benzoate

G211-0077 Screening compound: ethyl 2-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}benzoate
G211-0077 Screening compound: ethyl 2-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G211-0077
ethyl 2-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}benzoate

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

G211-0077

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

ethyl 2-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}benzoate

IUPAC name

ethyl 2-{2-cyclohexyl-3-oxo-1H2H3H-pyrrolo[34-b]quinoline-9-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(CN(C2CCCCC2)C2=O)c2nc2ccccc12)=O)=O

InChI

InChI=1S/C27H27N3O4/c1-2-34-27(33)19-13-7-9-15-22(19)29-25(31)23-18-12-6-8-14-21(18)28-24-20(23)16-30(26(24)32)17-10-4-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3,(H,29,31)

InChI Key

RESZBEGEFLIPSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-5.39

Polar Surface Area

68.611

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G211-0077 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G211-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G211-0077?
Check Price and Availability of G211-0077, 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 G211-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G211-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G211-0077
  • 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 G211-0077 available by request