D074-0266 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0266 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0266 Screening compound: 4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0266
4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-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

D074-0266

Molecular Formula

C30H31N3O4 (C30 H31 N3 O4)

Compound Name

4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(3-ethoxy-4-propoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCOc(ccc(C(c1c2[nH]nc1-c(cccc1)c1O)N(CCc1ccccc1)C2=O)c1)c1OCC

InChI

InChI=1S/C30H31N3O4/c1-3-18-37-24-15-14-21(19-25(24)36-4-2)29-26-27(22-12-8-9-13-23(22)34)31-32-28(26)30(35)33(29)17-16-20-10-6-5-7-11-20/h5-15,19,29,34H,3-4,16-18H2,1-2H3,(H,31,32)/t29-/m0/s1

InChI Key

RWKWOQHAZFFALP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD06646365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.291

Distribution Coefficient, logD

6.280

Water Solubility, LogSw

-5.33

Polar Surface Area

71.380

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D074-0266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

MCL1 Targeted Library (12200 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

References: we are preparing a list of scientific research reports with D074-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0266?
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What is the minimum amount of D074-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0266
  • 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 D074-0266 available by request