D074-0271 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0271 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0271 Screening compound: 3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0271
3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-5-(2-phenylethyl)-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

D074-0271

Molecular Formula

C26H23N3O2S (C26 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCc2ccccc2)C3=O)cc1

InChI

InChI=1S/C26H23N3O2S/c1-32-19-13-11-18(12-14-19)25-22-23(20-9-5-6-10-21(20)30)27-28-24(22)26(31)29(25)16-15-17-7-3-2-4-8-17/h2-14,25,30H,15-16H2,1H3,(H,27,28)/t25-/m1/s1

InChI Key

CDITWNYKUCODQM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD06609745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.180

Distribution Coefficient, logD

6.169

Water Solubility, LogSw

-5.34

Polar Surface Area

56.665

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D074-0271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • 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 D074-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0271?
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What is the minimum amount of D074-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0271
  • 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 D074-0271 available by request