G219-4033 Screening compound: 2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

G219-4033 Screening compound: 2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
G219-4033 Screening compound: 2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G219-4033
2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

G219-4033

Molecular Formula

C27H25F3N4O2 (C27 H25 F3 N4 O2)

Compound Name

2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-{[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridin-6-yl]oxy}-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CCc(cc1)ccc1-n(c1n2)nc(C)c1c(C(F)(F)F)cc2OCC(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C27H25F3N4O2/c1-3-18-10-12-20(13-11-18)34-26-25(17(2)32-34)21(27(28,29)30)15-23(31-26)36-16-24(35)33-14-6-8-19-7-4-5-9-22(19)33/h4-5,7,9-13,15H,3,6,8,14,16H2,1-2H3

InChI Key

IYABWGUQAOQMPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.197

Distribution Coefficient, logD

6.197

Water Solubility, LogSw

-5.69

Polar Surface Area

45.819

Acid Dissociation Constant (pKa)

19.10

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

G219-4033 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G219-4033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G219-4033?
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What is the minimum amount of G219-4033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G219-4033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G219-4033
  • 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 G219-4033 available by request