J081-2171 Screening compound: 4-(3-methoxy-2-propoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-2171 Screening compound: 4-(3-methoxy-2-propoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-2171 Screening compound: 4-(3-methoxy-2-propoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-2171
4-(3-methoxy-2-propoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-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

J081-2171

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1c(C(CC(N2)=O)c3c2n(-c2nc(ccc(C)c4)c4s2)nc3C)cccc1OC

InChI

InChI=1S/C25H26N4O3S/c1-5-11-32-23-16(7-6-8-19(23)31-4)17-13-21(30)27-24-22(17)15(3)28-29(24)25-26-18-10-9-14(2)12-20(18)33-25/h6-10,12,17H,5,11,13H2,1-4H3,(H,27,30)/t17-/m0/s1

InChI Key

WSDDACYEXMJYTR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27224296

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

5.201

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-4.95

Polar Surface Area

63.848

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

J081-2171 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 J081-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-2171?
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What is the minimum amount of J081-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-2171
  • 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 J081-2171 available by request