Y040-9684 Screening compound: 6-(2,4-dichlorophenyl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

Y040-9684 Screening compound: 6-(2,4-dichlorophenyl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
Y040-9684 Screening compound: 6-(2,4-dichlorophenyl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9684
6-(2,4-dichlorophenyl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-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

Y040-9684

Molecular Formula

C18H11Cl2N3O (C18 H11 Cl2 N3 O)

Compound Name

6-(2,4-dichlorophenyl)-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

IUPAC name

6-(24-dichlorophenyl)-2-phenyl-1H2H3H-pyrazolo[34-b]pyridin-3-one

SMILES

O=C1N(c2ccccc2)Nc2c1ccc(-c(ccc(Cl)c1)c1Cl)n2

InChI

InChI=1S/C18H11Cl2N3O/c19-11-6-7-13(15(20)10-11)16-9-8-14-17(21-16)22-23(18(14)24)12-4-2-1-3-5-12/h1-10H,(H,21,22)

InChI Key

SJVUOTYBXVACIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12209398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-5.13

Polar Surface Area

38.158

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-9684 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

C-Met Library (15277 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9684?
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What is the minimum amount of Y040-9684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9684
  • 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 Y040-9684 available by request