D126-0872 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0872 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0872 Screening compound: 4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0872
4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-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

D126-0872

Molecular Formula

C24H26FN3O3 (C24 H26 FN3 O3)

Compound Name

4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-[3-(propan-2-yloxy)propyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CC(C)OCCCN(C(c1c2[nH]nc1-c(cc(C)cc1)c1O)c(cc1)ccc1F)C2=O

InChI

InChI=1S/C24H26FN3O3/c1-14(2)31-12-4-11-28-23(16-6-8-17(25)9-7-16)20-21(26-27-22(20)24(28)30)18-13-15(3)5-10-19(18)29/h5-10,13-14,23,29H,4,11-12H2,1-3H3,(H,26,27)/t23-/m1/s1

InChI Key

KFQOOACZICENKI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD08545922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.12

Polar Surface Area

64.138

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D126-0872 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D126-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0872?
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What is the minimum amount of D126-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0872
  • 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 D126-0872 available by request