D074-0304 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0304 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0304 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0304
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-(4-methoxyphenyl)-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

D074-0304

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

VAGMOVAMBTYREN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06594744

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

4.961

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-4.13

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

D074-0304 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D074-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0304?
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What is the minimum amount of D074-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0304
  • 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 D074-0304 available by request