J012-1804 Screening compound: 1-(3-chlorophenyl)-4-(3,4-diethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J012-1804 Screening compound: 1-(3-chlorophenyl)-4-(3,4-diethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J012-1804 Screening compound: 1-(3-chlorophenyl)-4-(3,4-diethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J012-1804
1-(3-chlorophenyl)-4-(3,4-diethoxyphenyl)-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

J012-1804

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

1-(3-chlorophenyl)-4-(3,4-diethoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(3-chlorophenyl)-4-(34-diethoxyphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc(ccc(C(CC(N1)=O)c2c1n(-c1cccc(Cl)c1)nc2)c1)c1OCC

InChI

InChI=1S/C22H22ClN3O3/c1-3-28-19-9-8-14(10-20(19)29-4-2)17-12-21(27)25-22-18(17)13-24-26(22)16-7-5-6-15(23)11-16/h5-11,13,17H,3-4,12H2,1-2H3,(H,25,27)/t17-/m0/s1

InChI Key

QISRIHOOEJOXDM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27216701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.52

Polar Surface Area

53.159

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with J012-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J012-1804?
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What is the minimum amount of J012-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J012-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J012-1804
  • 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 J012-1804 available by request