8011-9130 Screening compound: 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

8011-9130 Screening compound: 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
8011-9130 Screening compound: 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9130
4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-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

8011-9130

Molecular Formula

C26H22FN3O3 (C26 H22 FN3 O3)

Compound Name

4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(24-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c(ccc(OC)c1)c1OC)N2c(cc1)ccc1F

InChI

InChI=1S/C26H22FN3O3/c1-15-4-6-16(7-5-15)23-22-24(29-28-23)26(31)30(18-10-8-17(27)9-11-18)25(22)20-13-12-19(32-2)14-21(20)33-3/h4-14,25H,1-3H3,(H,28,29)/t25-/m1/s1

InChI Key

QSXSSCPEQSUJDL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02041848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.09

Polar Surface Area

54.701

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8011-9130 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8011-9130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9130?
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What is the minimum amount of 8011-9130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9130
  • 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 8011-9130 available by request