D074-0140 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0140 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0140 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0140
3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-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

D074-0140

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)ccc1SC)C2=O

InChI

InChI=1S/C21H21N3O3S/c1-27-12-11-24-20(13-7-9-14(28-2)10-8-13)17-18(22-23-19(17)21(24)26)15-5-3-4-6-16(15)25/h3-10,20,25H,11-12H2,1-2H3,(H,22,23)/t20-/m1/s1

InChI Key

LNJBXEMPNJHEPB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06614039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-3.62

Polar Surface Area

65.279

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D074-0140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D074-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0140?
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What is the minimum amount of D074-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0140
  • 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 D074-0140 available by request