D158-0494 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0494 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0494 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0494
3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-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

D158-0494

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxy-46-dimethylphenyl)-4-(4-methoxyphenyl)-5-(prop-2-en-1-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c(cc2)ccc2OC)N(CC=C)C3=O)c(C)c1

InChI

InChI=1S/C23H23N3O3/c1-5-10-26-22(15-6-8-16(29-4)9-7-15)19-20(24-25-21(19)23(26)28)18-14(3)11-13(2)12-17(18)27/h5-9,11-12,22,27H,1,10H2,2-4H3,(H,24,25)/t22-/m0/s1

InChI Key

FADUIHAZHDXJGQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06648093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.29

Polar Surface Area

64.480

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D158-0494 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 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
  • 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 D158-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0494?
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What is the minimum amount of D158-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0494
  • 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 D158-0494 available by request