D074-0057 Screening compound: 4-(3,4-dimethoxyphenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0057 Screening compound: 4-(3,4-dimethoxyphenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0057 Screening compound: 4-(3,4-dimethoxyphenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0057
4-(3,4-dimethoxyphenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxyphenyl)-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

D074-0057

Molecular Formula

C24H21N3O5 (C24 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(c1c2[nH]nc1-c(cccc1)c1O)N(Cc1ccco1)C2=O)c1)c1OC

InChI

InChI=1S/C24H21N3O5/c1-30-18-10-9-14(12-19(18)31-2)23-20-21(16-7-3-4-8-17(16)28)25-26-22(20)24(29)27(23)13-15-6-5-11-32-15/h3-12,23,28H,13H2,1-2H3,(H,25,26)/t23-/m0/s1

InChI Key

BLFNRIXYRKQHJE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06598868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-3.80

Polar Surface Area

79.696

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D074-0057 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D074-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0057?
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What is the minimum amount of D074-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0057
  • 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 D074-0057 available by request