D158-0543 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0543 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0543 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0543
3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-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

D158-0543

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

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

IUPAC name

3-(2-hydroxy-46-dimethylphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c2cc(O)ccc2)N(CCOC)C3=O)c(C)c1

InChI

InChI=1S/C22H23N3O4/c1-12-9-13(2)17(16(27)10-12)19-18-20(24-23-19)22(28)25(7-8-29-3)21(18)14-5-4-6-15(26)11-14/h4-6,9-11,21,26-27H,7-8H2,1-3H3,(H,23,24)/t21-/m0/s1

InChI Key

TZPNLMOFUDDMOY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07428033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.29

Polar Surface Area

82.896

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D158-0543 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D158-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0543?
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What is the minimum amount of D158-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0543
  • 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 D158-0543 available by request