J013-1666 Screening compound: 1-(3-chloro-2-methylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1666 Screening compound: 1-(3-chloro-2-methylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1666 Screening compound: 1-(3-chloro-2-methylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1666
1-(3-chloro-2-methylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-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

J013-1666

Molecular Formula

C22H19ClFN3O3 (C22 H19 ClFN3 O3)

Compound Name

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

IUPAC name

1-(3-chloro-2-methylphenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c(cc2)cc(OC)c2F)=O)c2NC1=O)nn2-c1cccc(Cl)c1C

InChI

InChI=1S/C22H19ClFN3O3/c1-11-15(23)5-4-6-17(11)27-22-20(12(2)26-27)14(10-19(28)25-22)21(29)13-7-8-16(24)18(9-13)30-3/h4-9,14H,10H2,1-3H3,(H,25,28)/t14-/m0/s1

InChI Key

ANYGBPQPIKYPGC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27217210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.45

Polar Surface Area

60.159

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J013-1666 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J013-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J013-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1666
  • 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 J013-1666 available by request