J081-2542 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-2542 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-2542 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-2542
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[2-(propan-2-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

J081-2542

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

SMILES

CCOc(cc1)cc2c1nc(-n1nc(C)c(C(C3)c(cccc4)c4OC(C)C)c1NC3=O)s2

InChI

InChI=1S/C25H26N4O3S/c1-5-31-16-10-11-19-21(12-16)33-25(26-19)29-24-23(15(4)28-29)18(13-22(30)27-24)17-8-6-7-9-20(17)32-14(2)3/h6-12,14,18H,5,13H2,1-4H3,(H,27,30)/t18-/m0/s1

InChI Key

COJMSEGNFNMOKS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27224418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-4.96

Polar Surface Area

62.639

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

J081-2542 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 J081-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J081-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-2542
  • 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 J081-2542 available by request