D174-0535 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(prop-2-en-1-yloxy)phenyl]-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D174-0535 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(prop-2-en-1-yloxy)phenyl]-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D174-0535 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(prop-2-en-1-yloxy)phenyl]-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 D174-0535
3-(2-hydroxyphenyl)-4-[3-(prop-2-en-1-yloxy)phenyl]-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

D174-0535

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

C=CCOc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(Cc2cnccc2)C3=O)c1

InChI

InChI=1S/C26H22N4O3/c1-2-13-33-19-9-5-8-18(14-19)25-22-23(20-10-3-4-11-21(20)31)28-29-24(22)26(32)30(25)16-17-7-6-12-27-15-17/h2-12,14-15,25,31H,1,13,16H2,(H,28,29)/t25-/m0/s1

InChI Key

VKPGLGJXIRYPSS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07425476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-3.71

Polar Surface Area

73.622

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D174-0535 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D174-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0535?
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What is the minimum amount of D174-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0535
  • 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 D174-0535 available by request