J094-0253 Screening compound: 4-[1-(1,3-benzoxazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid

J094-0253 Screening compound: 4-[1-(1,3-benzoxazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
J094-0253 Screening compound: 4-[1-(1,3-benzoxazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0253
4-[1-(1,3-benzoxazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid

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

J094-0253

Molecular Formula

C21H16N4O4 (C21 H16 N4 O4)

Compound Name

4-[1-(1,3-benzoxazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid

IUPAC name

4-[1-(13-benzoxazol-2-yl)-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl]benzoic acid

SMILES

Cc(c(C(C1)c(cc2)ccc2C(O)=O)c2NC1=O)nn2-c1nc(cccc2)c2o1

InChI

InChI=1S/C21H16N4O4/c1-11-18-14(12-6-8-13(9-7-12)20(27)28)10-17(26)23-19(18)25(24-11)21-22-15-4-2-3-5-16(15)29-21/h2-9,14H,10H2,1H3,(H,23,26)(H,27,28)/t14-/m0/s1

InChI Key

AGJKRALUZNVXOX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27224792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

0.329

Water Solubility, LogSw

-3.29

Polar Surface Area

84.653

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

J094-0253 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J094-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0253?
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What is the minimum amount of J094-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0253
  • 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 J094-0253 available by request