J094-0085 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0085 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0085 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,5-difluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0085
1-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,5-difluorophenyl)-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

J094-0085

Molecular Formula

C20H13BrF2N4OS (C20 H13 BrF2 N4 OS)

Compound Name

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

IUPAC name

1-(6-bromo-13-benzothiazol-2-yl)-4-(35-difluorophenyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c2cc(F)cc(F)c2)c2NC1=O)nn2-c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C20H13BrF2N4OS/c1-9-18-14(10-4-12(22)7-13(23)5-10)8-17(28)25-19(18)27(26-9)20-24-15-3-2-11(21)6-16(15)29-20/h2-7,14H,8H2,1H3,(H,25,28)/t14-/m0/s1

InChI Key

IRONOZMDVSBOML-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27224736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.009

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.74

Polar Surface Area

48.627

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

J094-0085 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 J094-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0085?
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What is the minimum amount of J094-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0085
  • 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 J094-0085 available by request