D074-0280 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0280 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0280 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0280
4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-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

D074-0280

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(34-dimethoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc1ccc(CCN(C(c2c3[nH]nc2-c(cccc2)c2O)c(cc2)cc(OC)c2OC)C3=O)cc1

InChI

InChI=1S/C28H27N3O5/c1-34-19-11-8-17(9-12-19)14-15-31-27(18-10-13-22(35-2)23(16-18)36-3)24-25(29-30-26(24)28(31)33)20-6-4-5-7-21(20)32/h4-13,16,27,32H,14-15H2,1-3H3,(H,29,30)/t27-/m0/s1

InChI Key

KKLLPLUALCYGNH-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06593832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-4.67

Polar Surface Area

79.470

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D074-0280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D074-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0280?
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What is the minimum amount of D074-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0280
  • 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 D074-0280 available by request