G219-0847 Screening compound: ethyl 4-(2-{[3,4-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamido)benzoate

G219-0847 Screening compound: ethyl 4-(2-{[3,4-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamido)benzoate
G219-0847 Screening compound: ethyl 4-(2-{[3,4-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G219-0847
ethyl 4-(2-{[3,4-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamido)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

G219-0847

Molecular Formula

C26H26N4O4 (C26 H26 N4 O4)

Compound Name

ethyl 4-(2-{[3,4-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[34-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-6-yl]oxy}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc1nc(n(-c2ccc(C)cc2)nc2C)c2c(C)c1)=O)=O

InChI

InChI=1S/C26H26N4O4/c1-5-33-26(32)19-8-10-20(11-9-19)27-22(31)15-34-23-14-17(3)24-18(4)29-30(25(24)28-23)21-12-6-16(2)7-13-21/h6-14H,5,15H2,1-4H3,(H,27,31)

InChI Key

QQWBRVPOQSUBNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27211182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.579

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.64

Polar Surface Area

74.665

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G219-0847 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 G219-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G219-0847?
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What is the minimum amount of G219-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G219-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G219-0847
  • 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 G219-0847 available by request