D126-0437 Screening compound: 4-(2-fluorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-5-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0437 Screening compound: 4-(2-fluorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-5-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0437 Screening compound: 4-(2-fluorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-5-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0437
4-(2-fluorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-5-methylphenyl)-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

D126-0437

Molecular Formula

C23H18FN3O3 (C23 H18 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-c2n[nH]c3c2C(c(cccc2)c2F)N(Cc2ccco2)C3=O)c1O

InChI

InChI=1S/C23H18FN3O3/c1-13-8-9-18(28)16(11-13)20-19-21(26-25-20)23(29)27(12-14-5-4-10-30-14)22(19)15-6-2-3-7-17(15)24/h2-11,22,28H,12H2,1H3,(H,25,26)/t22-/m1/s1

InChI Key

KCGNWMHNDRLLNS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06649136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

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

5.156

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-4.71

Polar Surface Area

64.435

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D126-0437 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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

References: we are preparing a list of scientific research reports with D126-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0437?
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What is the minimum amount of D126-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0437
  • 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 D126-0437 available by request