D074-0036 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0036 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0036 Screening compound: 3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0036
3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-[(oxolan-2-yl)methyl]-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

D074-0036

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCOc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CC2OCCC2)C3=O)c1

InChI

InChI=1S/C27H31N3O4/c1-17(2)12-14-34-19-8-5-7-18(15-19)26-23-24(21-10-3-4-11-22(21)31)28-29-25(23)27(32)30(26)16-20-9-6-13-33-20/h3-5,7-8,10-11,15,17,20,26,31H,6,9,12-14,16H2,1-2H3,(H,28,29)

InChI Key

XCWKUJBLTDHZHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647052

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.478

Water Solubility, LogSw

-5.10

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

D074-0036 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Nucleoside Mimetics Library (2197 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D074-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0036?
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What is the minimum amount of D074-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0036
  • 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 D074-0036 available by request