D074-0025 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0025 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0025 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0025
3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-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

D074-0025

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-[4-(pentyloxy)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCCOc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CC2OCCC2)C3=O)cc1

InChI

InChI=1S/C27H31N3O4/c1-2-3-6-15-33-19-13-11-18(12-14-19)26-23-24(21-9-4-5-10-22(21)31)28-29-25(23)27(32)30(26)17-20-8-7-16-34-20/h4-5,9-14,20,26,31H,2-3,6-8,15-17H2,1H3,(H,28,29)

InChI Key

QLFWAAKWEYTHIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.731

Distribution Coefficient, logD

5.720

Water Solubility, LogSw

-5.18

Polar Surface Area

72.759

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

D074-0025 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D074-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0025?
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What is the minimum amount of D074-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0025
  • 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 D074-0025 available by request