G211-0241 Screening compound: methyl 6-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}-2H-1,3-benzodioxole-5-carboxylate

G211-0241 Screening compound: methyl 6-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}-2H-1,3-benzodioxole-5-carboxylate
G211-0241 Screening compound: methyl 6-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}-2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G211-0241
methyl 6-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}-2H-1,3-benzodioxole-5-carboxylate

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

G211-0241

Molecular Formula

C27H25N3O6 (C27 H25 N3 O6)

Compound Name

methyl 6-{2-cyclohexyl-3-oxo-1H,2H,3H-pyrrolo[3,4-b]quinoline-9-amido}-2H-1,3-benzodioxole-5-carboxylate

IUPAC name

methyl 6-{2-cyclohexyl-3-oxo-1H2H3H-pyrrolo[34-b]quinoline-9-amido}-2H-13-benzodioxole-5-carboxylate

SMILES

COC(c(cc1OCOc1c1)c1NC(c1c(CN(C2CCCCC2)C2=O)c2nc2ccccc12)=O)=O

InChI

InChI=1S/C27H25N3O6/c1-34-27(33)17-11-21-22(36-14-35-21)12-20(17)29-25(31)23-16-9-5-6-10-19(16)28-24-18(23)13-30(26(24)32)15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,29,31)

InChI Key

IHQRIQNQEZPHGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-4.91

Polar Surface Area

86.147

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G211-0241 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G211-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G211-0241?
Check Price and Availability of G211-0241, 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 G211-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G211-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G211-0241
  • 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 G211-0241 available by request