J081-0104 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-0104 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-0104 Screening compound: 1-(1,3-benzothiazol-2-yl)-4-(thiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-0104
1-(1,3-benzothiazol-2-yl)-4-(thiophen-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

J081-0104

Molecular Formula

C17H12N4OS2 (C17 H12 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1c2cccs2)Nc2c1cnn2-c1nc(cccc2)c2s1

InChI

InChI=1S/C17H12N4OS2/c22-15-8-10(13-6-3-7-23-13)11-9-18-21(16(11)20-15)17-19-12-4-1-2-5-14(12)24-17/h1-7,9-10H,8H2,(H,20,22)/t10-/m1/s1

InChI Key

QBMFNEZFMXIEGS-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD15080044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-3.99

Polar Surface Area

49.292

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

J081-0104 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-0104?
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What is the minimum amount of J081-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-0104
  • 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 J081-0104 available by request