J013-1291 Screening compound: 1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1291 Screening compound: 1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1291 Screening compound: 1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1291
1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-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

J013-1291

Molecular Formula

C20H15F2N3O3 (C20 H15 F2 N3 O3)

Compound Name

1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(24-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c(cc2)ccc2O)=O)c2NC1=O)nn2-c(ccc(F)c1)c1F

InChI

InChI=1S/C20H15F2N3O3/c1-10-18-14(19(28)11-2-5-13(26)6-3-11)9-17(27)23-20(18)25(24-10)16-7-4-12(21)8-15(16)22/h2-8,14,26H,9H2,1H3,(H,23,27)/t14-/m0/s1

InChI Key

BMNTWNXRWVYCLV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27217114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.82

Polar Surface Area

70.146

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J013-1291 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 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 J013-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1291?
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What is the minimum amount of J013-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1291
  • 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 J013-1291 available by request