7567-0448 Screening compound: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

7567-0448 Screening compound: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione
7567-0448 Screening compound: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7567-0448
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

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

7567-0448

Molecular Formula

C19H14ClN3O2S (C19 H14 ClN3 O2 S)

Compound Name

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-3,4-dione

IUPAC name

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-1H2H3H4H7H-pyrazolo[34-b]pyridine-34-dione

SMILES

O=C1N(c2ccccc2)NC(NC(CSc(cc2)ccc2Cl)=C2)=C1C2=O

InChI

InChI=1S/C19H14ClN3O2S/c20-12-6-8-15(9-7-12)26-11-13-10-16(24)17-18(21-13)22-23(19(17)25)14-4-2-1-3-5-14/h1-10H,11H2,(H2,21,22,24)

InChI Key

UDYYPRWBKNVMLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-3.99

Polar Surface Area

52.579

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

7567-0448 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7567-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7567-0448?
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What is the minimum amount of 7567-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7567-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7567-0448
  • 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 7567-0448 available by request