D292-0057 Screening compound: 4-(2-chloro-6-fluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D292-0057 Screening compound: 4-(2-chloro-6-fluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D292-0057 Screening compound: 4-(2-chloro-6-fluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D292-0057
4-(2-chloro-6-fluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-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

D292-0057

Molecular Formula

C19H17ClFN5O (C19 H17 ClFN5 O)

Compound Name

4-(2-chloro-6-fluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(2-chloro-6-fluorophenyl)-1-(46-dimethylpyrimidin-2-yl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(c(F)ccc2)c2Cl)c2NC1=O)nn2-c1nc(C)cc(C)n1

InChI

InChI=1S/C19H17ClFN5O/c1-9-7-10(2)23-19(22-9)26-18-16(11(3)25-26)12(8-15(27)24-18)17-13(20)5-4-6-14(17)21/h4-7,12H,8H2,1-3H3,(H,24,27)/t12-/m0/s1

InChI Key

UKEGJTGNVWFMPT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14816840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-3.47

Polar Surface Area

56.202

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D292-0057 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D292-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D292-0057?
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What is the minimum amount of D292-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D292-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D292-0057
  • 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 D292-0057 available by request