D074-0482 Screening compound: 4-[4-(benzyloxy)phenyl]-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0482 Screening compound: 4-[4-(benzyloxy)phenyl]-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0482 Screening compound: 4-[4-(benzyloxy)phenyl]-5-butyl-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0482
4-[4-(benzyloxy)phenyl]-5-butyl-3-(2-hydroxyphenyl)-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

D074-0482

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)ccc1OCc1ccccc1)C2=O

InChI

InChI=1S/C28H27N3O3/c1-2-3-17-31-27(20-13-15-21(16-14-20)34-18-19-9-5-4-6-10-19)24-25(29-30-26(24)28(31)33)22-11-7-8-12-23(22)32/h4-16,27,32H,2-3,17-18H2,1H3,(H,29,30)/t27-/m0/s1

InChI Key

GWXZMNPJTRLTCK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06647614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.275

Distribution Coefficient, logD

6.264

Water Solubility, LogSw

-5.33

Polar Surface Area

64.164

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D074-0482 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D074-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0482?
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What is the minimum amount of D074-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0482
  • 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 D074-0482 available by request