D158-0090 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0090 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0090 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0090
4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-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

D158-0090

Molecular Formula

C24H24FN3O3 (C24 H24 FN3 O3)

Compound Name

4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-fluorophenyl)-3-(2-hydroxy-46-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c(cc2)ccc2F)N(CC2OCCC2)C3=O)c(C)c1

InChI

InChI=1S/C24H24FN3O3/c1-13-10-14(2)19(18(29)11-13)21-20-22(27-26-21)24(30)28(12-17-4-3-9-31-17)23(20)15-5-7-16(25)8-6-15/h5-8,10-11,17,23,29H,3-4,9,12H2,1-2H3,(H,26,27)

InChI Key

IQECWIDTTXDWOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07466951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.259

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.04

Polar Surface Area

65.341

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D158-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D158-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0090?
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What is the minimum amount of D158-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0090
  • 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 D158-0090 available by request