C390-0168 Screening compound: 4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

C390-0168 Screening compound: 4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
C390-0168 Screening compound: 4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0168
4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

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

C390-0168

Molecular Formula

C26H21N3O3 (C26 H21 N3 O3)

Compound Name

4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

IUPAC name

4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoic acid

SMILES

CCc1ccc(C(c2c(C3=O)[nH]nc2-c2ccccc2)N3c(cc2)ccc2C(O)=O)cc1

InChI

InChI=1S/C26H21N3O3/c1-2-16-8-10-18(11-9-16)24-21-22(17-6-4-3-5-7-17)27-28-23(21)25(30)29(24)20-14-12-19(13-15-20)26(31)32/h3-15,24H,2H2,1H3,(H,27,28)(H,31,32)/t24-/m0/s1

InChI Key

MKTGXEHXRMZICT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06196011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-5.34

Polar Surface Area

67.935

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

C390-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • Nuclear receptors
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0168?
Check Price and Availability of C390-0168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C390-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0168
  • 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 C390-0168 available by request