J081-0059 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0059 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0059 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0059
1-(1,3-benzothiazol-2-yl)-4-(4-ethoxy-3-methoxyphenyl)-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

J081-0059

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(C(CC(N1)=O)c2c1n(-c1nc(cccc3)c3s1)nc2)c1)c1OC

InChI

InChI=1S/C22H20N4O3S/c1-3-29-17-9-8-13(10-18(17)28-2)14-11-20(27)25-21-15(14)12-23-26(21)22-24-16-6-4-5-7-19(16)30-22/h4-10,12,14H,3,11H2,1-2H3,(H,25,27)/t14-/m0/s1

InChI Key

CRMDXCQSTUZYND-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27224056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.13

Polar Surface Area

63.114

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J081-0059 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 J081-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0059?
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What is the minimum amount of J081-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0059
  • 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 J081-0059 available by request