D174-0596 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(propan-2-yl)phenyl]-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0596 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(propan-2-yl)phenyl]-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0596 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(propan-2-yl)phenyl]-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 D174-0596
3-(2-hydroxyphenyl)-4-[4-(propan-2-yl)phenyl]-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

D174-0596

Molecular Formula

C26H24N4O2 (C26 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(Cc2ccncc2)C3=O)cc1

InChI

InChI=1S/C26H24N4O2/c1-16(2)18-7-9-19(10-8-18)25-22-23(20-5-3-4-6-21(20)31)28-29-24(22)26(32)30(25)15-17-11-13-27-14-12-17/h3-14,16,25,31H,15H2,1-2H3,(H,28,29)/t25-/m0/s1

InChI Key

YCPBQQCYNCGXLM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06648731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-3.92

Polar Surface Area

66.115

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

D174-0596 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Nucleic Acid Ligands (8311 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • 3D
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0596?
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What is the minimum amount of D174-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0596
  • 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 D174-0596 available by request