D074-0297 Screening compound: 3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0297 Screening compound: 3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0297 Screening compound: 3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0297
3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-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

D074-0297

Molecular Formula

C27H25N3O3S (C27 H25 N3 O3 S)

Compound Name

3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc1ccc(CCN(C(c2c3[nH]nc2-c(cccc2)c2O)c(cc2)ccc2SC)C3=O)cc1

InChI

InChI=1S/C27H25N3O3S/c1-33-19-11-7-17(8-12-19)15-16-30-26(18-9-13-20(34-2)14-10-18)23-24(28-29-25(23)27(30)32)21-5-3-4-6-22(21)31/h3-14,26,31H,15-16H2,1-2H3,(H,28,29)/t26-/m1/s1

InChI Key

HKNZEYKNSAVGMP-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06609341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.163

Distribution Coefficient, logD

6.151

Water Solubility, LogSw

-5.30

Polar Surface Area

64.209

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

D074-0297 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D074-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0297?
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What is the minimum amount of D074-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0297
  • 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 D074-0297 available by request