J081-2176 Screening compound: 4-(4-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-2176 Screening compound: 4-(4-methoxyphenyl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-2176 Screening compound: 4-(4-methoxyphenyl)-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 J081-2176
4-(4-methoxyphenyl)-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

J081-2176

Molecular Formula

C22H20N4O2S (C22 H20 N4 O2 S)

Compound Name

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

SMILES

Cc(c(C(C1)c(cc2)ccc2OC)c2NC1=O)nn2-c1nc(ccc(C)c2)c2s1

InChI

InChI=1S/C22H20N4O2S/c1-12-4-9-17-18(10-12)29-22(23-17)26-21-20(13(2)25-26)16(11-19(27)24-21)14-5-7-15(28-3)8-6-14/h4-10,16H,11H2,1-3H3,(H,24,27)/t16-/m0/s1

InChI Key

IWWIADMVVGZANA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27224300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.35

Polar Surface Area

56.170

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J081-2176 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 J081-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-2176?
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What is the minimum amount of J081-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-2176
  • 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 J081-2176 available by request