D126-0149 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0149 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0149 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0149
3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-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

D126-0149

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-[4-(propan-2-yl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CC(C)c1ccc(C(c2c3[nH]nc2-c(cc(C)cc2)c2O)N(CCOC)C3=O)cc1

InChI

InChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)23-20-21(18-13-15(3)5-10-19(18)28)25-26-22(20)24(29)27(23)11-12-30-4/h5-10,13-14,23,28H,11-12H2,1-4H3,(H,25,26)/t23-/m0/s1

InChI Key

QKWWZJWINZOZJA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07425996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.09

Polar Surface Area

65.279

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D126-0149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 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:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D126-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0149?
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What is the minimum amount of D126-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0149
  • 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 D126-0149 available by request