D174-0533 Screening compound: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0533 Screening compound: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0533 Screening compound: 3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0533
3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-5-[(pyridin-3-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

D174-0533

Molecular Formula

C23H18N4O3 (C23 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Oc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(Cc2cnccc2)C3=O)c1

InChI

InChI=1S/C23H18N4O3/c28-16-7-3-6-15(11-16)22-19-20(17-8-1-2-9-18(17)29)25-26-21(19)23(30)27(22)13-14-5-4-10-24-12-14/h1-12,22,28-29H,13H2,(H,25,26)/t22-/m0/s1

InChI Key

LNQNKCVWZUOVJI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07425468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.05

Polar Surface Area

83.822

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D174-0533 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 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

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

References: we are preparing a list of scientific research reports with D174-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0533?
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What is the minimum amount of D174-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0533
  • 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 D174-0533 available by request