J081-0058 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0058 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0058 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0058
1-(1,3-benzothiazol-2-yl)-4-(3-hydroxyphenyl)-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

J081-0058

Molecular Formula

C19H14N4O2S (C19 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1cccc(C(CC(N2)=O)c3c2n(-c2nc(cccc4)c4s2)nc3)c1

InChI

InChI=1S/C19H14N4O2S/c24-12-5-3-4-11(8-12)13-9-17(25)22-18-14(13)10-20-23(18)19-21-15-6-1-2-7-16(15)26-19/h1-8,10,13,24H,9H2,(H,22,25)/t13-/m0/s1

InChI Key

XRCYTPPFJZPHIY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27224055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-3.80

Polar Surface Area

65.891

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

J081-0058 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • 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 J081-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0058?
Check Price and Availability of J081-0058, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J081-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0058
  • 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 J081-0058 available by request