G117-0243 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide

G117-0243 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide
G117-0243 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0243
N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}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

G117-0243

Molecular Formula

C29H25ClN4O2 (C29 H25 ClN4 O2)

Compound Name

N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-{[4-methyl-3-(3-methylphenyl)-1-phenyl-1H-pyrazolo[34-b]pyridin-6-yl]oxy}acetamide

SMILES

Cc1cccc(-c(c(c(C)c2)c3nc2OCC(Nc2c(C)ccc(Cl)c2)=O)nn3-c2ccccc2)c1

InChI

InChI=1S/C29H25ClN4O2/c1-18-8-7-9-21(14-18)28-27-20(3)15-26(32-29(27)34(33-28)23-10-5-4-6-11-23)36-17-25(35)31-24-16-22(30)13-12-19(24)2/h4-16H,17H2,1-3H3,(H,31,35)

InChI Key

GMILBTGXCFHKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.892

Distribution Coefficient, logD

6.891

Water Solubility, LogSw

-6.40

Polar Surface Area

53.136

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

G117-0243 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 G117-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0243?
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What is the minimum amount of G117-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0243
  • 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 G117-0243 available by request