J081-2524 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-2524 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-2524 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-2524
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-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

J081-2524

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-3-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc(cc1)cc2c1nc(-n1nc(C)c(C(C3)c(cc4)ccc4OCC=C)c1NC3=O)s2

InChI

InChI=1S/C25H24N4O3S/c1-4-12-32-17-8-6-16(7-9-17)19-14-22(30)27-24-23(19)15(3)28-29(24)25-26-20-11-10-18(31-5-2)13-21(20)33-25/h4,6-11,13,19H,1,5,12,14H2,2-3H3,(H,27,30)/t19-/m0/s1

InChI Key

XKMVPKGSTWGESY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27644451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.68

Polar Surface Area

63.168

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

J081-2524 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 J081-2524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-2524?
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What is the minimum amount of J081-2524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-2524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-2524
  • 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 J081-2524 available by request