J094-0054 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0054 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0054 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0054
4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-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

J094-0054

Molecular Formula

C22H19BrN4O3S (C22 H19 BrN4 O3 S)

Compound Name

4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(3-bromo-4-methoxyphenyl)-1-(6-methoxy-13-benzothiazol-2-yl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cc2)cc(Br)c2OC)c2NC1=O)nn2-c1nc(ccc(OC)c2)c2s1

InChI

InChI=1S/C22H19BrN4O3S/c1-11-20-14(12-4-7-17(30-3)15(23)8-12)10-19(28)25-21(20)27(26-11)22-24-16-6-5-13(29-2)9-18(16)31-22/h4-9,14H,10H2,1-3H3,(H,25,28)/t14-/m1/s1

InChI Key

PLHKHBDOBBVCNS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27224723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.45

Polar Surface Area

63.801

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J094-0054 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J094-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0054?
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What is the minimum amount of J094-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0054
  • 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 J094-0054 available by request