J094-0247 Screening compound: 1-(1,3-benzoxazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0247 Screening compound: 1-(1,3-benzoxazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0247 Screening compound: 1-(1,3-benzoxazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0247
1-(1,3-benzoxazol-2-yl)-4-(4-chlorophenyl)-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

J094-0247

Molecular Formula

C20H15ClN4O2 (C20 H15 ClN4 O2)

Compound Name

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

IUPAC name

1-(13-benzoxazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)ccc2Cl)c2NC1=O)nn2-c1nc(cccc2)c2o1

InChI

InChI=1S/C20H15ClN4O2/c1-11-18-14(12-6-8-13(21)9-7-12)10-17(26)23-19(18)25(24-11)20-22-15-4-2-3-5-16(15)27-20/h2-9,14H,10H2,1H3,(H,23,26)/t14-/m1/s1

InChI Key

QQGCCBAYMHTMJP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27224788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.82

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

4.047

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.69

Polar Surface Area

56.244

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J094-0247 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J094-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0247?
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What is the minimum amount of J094-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0247
  • 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 J094-0247 available by request