J081-0077 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide

J081-0077 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide
J081-0077 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0077
2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide

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

J081-0077

Molecular Formula

C23H21N5O4S (C23 H21 N5 O4 S)

Compound Name

2-{4-[1-(1,3-benzothiazol-2-yl)-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide

IUPAC name

2-{4-[1-(13-benzothiazol-2-yl)-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl]-2-ethoxyphenoxy}acetamide

SMILES

CCOc(cc(C(CC(N1)=O)c2c1n(-c1nc(cccc3)c3s1)nc2)cc1)c1OCC(N)=O

InChI

InChI=1S/C23H21N5O4S/c1-2-31-18-9-13(7-8-17(18)32-12-20(24)29)14-10-21(30)27-22-15(14)11-25-28(22)23-26-16-5-3-4-6-19(16)33-23/h3-9,11,14H,2,10,12H2,1H3,(H2,24,29)(H,27,30)/t14-/m0/s1

InChI Key

HCXBFQDNDIBDIT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27224071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.01

Polar Surface Area

96.458

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

J081-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0077?
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What is the minimum amount of J081-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0077
  • 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 J081-0077 available by request