D174-0568 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0568 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-[(pyridin-4-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0568 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-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 D174-0568
4-(3-ethoxy-4-hydroxyphenyl)-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

D174-0568

Molecular Formula

C25H22N4O4 (C25 H22 N4 O4)

Compound Name

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

SMILES

CCOc(cc(C(c1c2[nH]nc1-c(cccc1)c1O)N(Cc1ccncc1)C2=O)cc1)c1O

InChI

InChI=1S/C25H22N4O4/c1-2-33-20-13-16(7-8-19(20)31)24-21-22(17-5-3-4-6-18(17)30)27-28-23(21)25(32)29(24)14-15-9-11-26-12-10-15/h3-13,24,30-31H,2,14H2,1H3,(H,27,28)/t24-/m0/s1

InChI Key

SFKGRUFVFOCXCX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06648729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.400

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.33

Polar Surface Area

89.873

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

D174-0568 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Aurora A-B Kinases Targeted Library (9426 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0568?
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What is the minimum amount of D174-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0568
  • 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 D174-0568 available by request