G219-4069 Screening compound: 2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide

G219-4069 Screening compound: 2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide
G219-4069 Screening compound: 2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G219-4069
2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide

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

G219-4069

Molecular Formula

C22H18ClF3N4O3 (C22 H18 ClF3 N4 O3)

Compound Name

2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridin-6-yl]oxy}-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc(c(c1n2)c(C(F)(F)F)cc2OCC(NCc2ccco2)=O)nn1-c1cccc(Cl)c1C

InChI

InChI=1S/C22H18ClF3N4O3/c1-12-16(23)6-3-7-17(12)30-21-20(13(2)29-30)15(22(24,25)26)9-19(28-21)33-11-18(31)27-10-14-5-4-8-32-14/h3-9H,10-11H2,1-2H3,(H,27,31)

InChI Key

XDTUHAUNMMBYGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.92

Polar Surface Area

62.681

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G219-4069 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G219-4069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G219-4069?
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What is the minimum amount of G219-4069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G219-4069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G219-4069
  • 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 G219-4069 available by request