D126-0831 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0831 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-[(pyridin-3-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0831 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-5-methylphenyl)-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 D126-0831
4-(3-ethoxy-4-hydroxyphenyl)-3-(2-hydroxy-5-methylphenyl)-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

D126-0831

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(c1c2[nH]nc1-c(cc(C)cc1)c1O)N(Cc1cnccc1)C2=O)cc1)c1O

InChI

InChI=1S/C26H24N4O4/c1-3-34-21-12-17(7-9-20(21)32)25-22-23(18-11-15(2)6-8-19(18)31)28-29-24(22)26(33)30(25)14-16-5-4-10-27-13-16/h4-13,25,31-32H,3,14H2,1-2H3,(H,28,29)/t25-/m0/s1

InChI Key

BVPCWGHWNIGWDR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07427244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

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

3.852

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-3.16

Polar Surface Area

89.963

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

D126-0831 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D126-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0831?
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What is the minimum amount of D126-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0831
  • 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 D126-0831 available by request