J081-0206 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide

J081-0206 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
J081-0206 Screening compound: 2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0206
2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide

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

J081-0206

Molecular Formula

C22H19N5O3S (C22 H19 N5 O3 S)

Compound Name

2-{4-[1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide

IUPAC name

2-{4-[1-(13-benzothiazol-2-yl)-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl]phenoxy}acetamide

SMILES

Cc(c(C(C1)c(cc2)ccc2OCC(N)=O)c2NC1=O)nn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C22H19N5O3S/c1-12-20-15(13-6-8-14(9-7-13)30-11-18(23)28)10-19(29)25-21(20)27(26-12)22-24-16-4-2-3-5-17(16)31-22/h2-9,15H,10-11H2,1H3,(H2,23,28)(H,25,29)/t15-/m0/s1

InChI Key

ALNCADGPYJZXSA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27224131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.83

Polar Surface Area

89.514

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

J081-0206 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0206?
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What is the minimum amount of J081-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0206
  • 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 J081-0206 available by request