D074-0104 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0104 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0104 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0104
3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-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

D074-0104

Molecular Formula

C26H23N3O4 (C26 H23 N3 O4)

Compound Name

3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(3-phenoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c1cc(Oc3ccccc3)ccc1)C2=O

InChI

InChI=1S/C26H23N3O4/c1-32-15-14-29-25(17-8-7-11-19(16-17)33-18-9-3-2-4-10-18)22-23(27-28-24(22)26(29)31)20-12-5-6-13-21(20)30/h2-13,16,25,30H,14-15H2,1H3,(H,27,28)/t25-/m0/s1

InChI Key

NNUZTDKXRCJVAJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06646541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.209

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-4.70

Polar Surface Area

72.027

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D074-0104 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D074-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0104?
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What is the minimum amount of D074-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0104
  • 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 D074-0104 available by request