D292-0075 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D292-0075 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D292-0075 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D292-0075
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[2-(propan-2-yloxy)phenyl]-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

D292-0075

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc1c(C(CC(N2)=O)c3c2n(-c2nc(C)cc(C)n2)nc3C)cccc1

InChI

InChI=1S/C22H25N5O2/c1-12(2)29-18-9-7-6-8-16(18)17-11-19(28)25-21-20(17)15(5)26-27(21)22-23-13(3)10-14(4)24-22/h6-10,12,17H,11H2,1-5H3,(H,25,28)/t17-/m0/s1

InChI Key

VHCQIHBPLBKNAH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14816848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.24

Polar Surface Area

63.091

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D292-0075 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D292-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D292-0075?
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What is the minimum amount of D292-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D292-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D292-0075
  • 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 D292-0075 available by request