J012-2229 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J012-2229 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J012-2229 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J012-2229
4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-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

J012-2229

Molecular Formula

C20H16ClN3O3 (C20 H16 ClN3 O3)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(-n1ncc(C(C2)c(cc3)cc4c3OCO4)c1NC2=O)ccc1)c1Cl

InChI

InChI=1S/C20H16ClN3O3/c1-11-15(21)3-2-4-16(11)24-20-14(9-22-24)13(8-19(25)23-20)12-5-6-17-18(7-12)27-10-26-17/h2-7,9,13H,8,10H2,1H3,(H,23,25)/t13-/m0/s1

InChI Key

MKLWFRBVIYRZED-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27216809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.60

Polar Surface Area

55.553

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

J012-2229 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 J012-2229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J012-2229?
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What is the minimum amount of J012-2229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J012-2229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J012-2229
  • 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 J012-2229 available by request