C390-0159 Screening compound: 4-[4-(2-methoxyphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

C390-0159 Screening compound: 4-[4-(2-methoxyphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
C390-0159 Screening compound: 4-[4-(2-methoxyphenyl)-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 C390-0159
4-[4-(2-methoxyphenyl)-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

C390-0159

Molecular Formula

C25H19N3O4 (C25 H19 N3 O4)

Compound Name

4-[4-(2-methoxyphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

IUPAC name

4-[4-(2-methoxyphenyl)-6-oxo-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoic acid

SMILES

COc1c(C(c2c(C3=O)[nH]nc2-c2ccccc2)N3c(cc2)ccc2C(O)=O)cccc1

InChI

InChI=1S/C25H19N3O4/c1-32-19-10-6-5-9-18(19)23-20-21(15-7-3-2-4-8-15)26-27-22(20)24(29)28(23)17-13-11-16(12-14-17)25(30)31/h2-14,23H,1H3,(H,26,27)(H,30,31)/t23-/m0/s1

InChI Key

GPHDJNDWDKFHFE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06196004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-4.42

Polar Surface Area

75.566

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

C390-0159 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C390-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0159?
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What is the minimum amount of C390-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0159
  • 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 C390-0159 available by request