D174-0592 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0592 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0592 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0592
4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-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

D174-0592

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCOc(ccc(C(c1c2[nH]nc1-c(cccc1)c1O)N(Cc1ccncc1)C2=O)c1)c1OCC

InChI

InChI=1S/C28H28N4O4/c1-3-15-36-22-10-9-19(16-23(22)35-4-2)27-24-25(20-7-5-6-8-21(20)33)30-31-26(24)28(34)32(27)17-18-11-13-29-14-12-18/h5-14,16,27,33H,3-4,15,17H2,1-2H3,(H,30,31)/t27-/m0/s1

InChI Key

AKEZGSAYABSNKL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06648740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.466

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-3.80

Polar Surface Area

80.829

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D174-0592 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0592?
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What is the minimum amount of D174-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0592
  • 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 D174-0592 available by request