J081-0064 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0064 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0064 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0064
1-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)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

J081-0064

Molecular Formula

C28H24N4O3S (C28 H24 N4 O3 S)

Compound Name

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

IUPAC name

1-(13-benzothiazol-2-yl)-4-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

COc(cc(C(CC(N1)=O)c2c1n(-c1nc(cccc3)c3s1)nc2)cc1)c1OCCc1ccccc1

InChI

InChI=1S/C28H24N4O3S/c1-34-24-15-19(11-12-23(24)35-14-13-18-7-3-2-4-8-18)20-16-26(33)31-27-21(20)17-29-32(27)28-30-22-9-5-6-10-25(22)36-28/h2-12,15,17,20H,13-14,16H2,1H3,(H,31,33)/t20-/m0/s1

InChI Key

KOCYGWMSZQHOKI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27224061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

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

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.37

Polar Surface Area

63.137

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

J081-0064 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with J081-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0064?
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What is the minimum amount of J081-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0064
  • 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 J081-0064 available by request