G334-0546 Screening compound: 6-ethoxy-4-({[1-(4-ethylphenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-one

G334-0546 Screening compound: 6-ethoxy-4-({[1-(4-ethylphenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-one
G334-0546 Screening compound: 6-ethoxy-4-({[1-(4-ethylphenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G334-0546
6-ethoxy-4-({[1-(4-ethylphenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-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

G334-0546

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

6-ethoxy-4-({[1-(4-ethylphenyl)-3,4-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-one

IUPAC name

6-ethoxy-4-({[1-(4-ethylphenyl)-34-dimethyl-1H-pyrazolo[34-b]pyridin-6-yl]oxy}methyl)-2H-chromen-2-one

SMILES

CCc(cc1)ccc1-n1nc(C)c(c(C)c2)c1nc2OCC(c(cc(cc1)OCC)c1O1)=CC1=O

InChI

InChI=1S/C28H27N3O4/c1-5-19-7-9-21(10-8-19)31-28-27(18(4)30-31)17(3)13-25(29-28)34-16-20-14-26(32)35-24-12-11-22(33-6-2)15-23(20)24/h7-15H,5-6,16H2,1-4H3

InChI Key

PGRZSDSOJGEGFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.057

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.82

Polar Surface Area

58.293

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G334-0546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G334-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G334-0546?
Check Price and Availability of G334-0546, 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 G334-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G334-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G334-0546
  • 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 G334-0546 available by request