J012-2744 Screening compound: 1-(4-fluorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J012-2744 Screening compound: 1-(4-fluorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J012-2744 Screening compound: 1-(4-fluorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J012-2744
1-(4-fluorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

J012-2744

Molecular Formula

C20H18FN3O4 (C20 H18 FN3 O4)

Compound Name

1-(4-fluorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(4-fluorophenyl)-4-(4-hydroxy-35-dimethoxyphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

COc1cc(C(CC(N2)=O)c3c2n(-c(cc2)ccc2F)nc3)cc(OC)c1O

InChI

InChI=1S/C20H18FN3O4/c1-27-16-7-11(8-17(28-2)19(16)26)14-9-18(25)23-20-15(14)10-22-24(20)13-5-3-12(21)4-6-13/h3-8,10,14,26H,9H2,1-2H3,(H,23,25)/t14-/m0/s1

InChI Key

MZSXVZZALBQKKB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27216846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

2.361

Water Solubility, LogSw

-2.93

Polar Surface Area

69.478

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J012-2744 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J012-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J012-2744?
Check Price and Availability of J012-2744, 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 J012-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J012-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J012-2744
  • 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 J012-2744 available by request