D158-0531 Screening compound: 4-(3-chlorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0531 Screening compound: 4-(3-chlorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0531 Screening compound: 4-(3-chlorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0531
4-(3-chlorophenyl)-5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-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

D158-0531

Molecular Formula

C24H20ClN3O3 (C24 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c2cccc(Cl)c2)N(Cc2ccco2)C3=O)c(C)c1

InChI

InChI=1S/C24H20ClN3O3/c1-13-9-14(2)19(18(29)10-13)21-20-22(27-26-21)24(30)28(12-17-7-4-8-31-17)23(20)15-5-3-6-16(25)11-15/h3-11,23,29H,12H2,1-2H3,(H,26,27)/t23-/m1/s1

InChI Key

NLJXSUCFZCKKFB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD07467360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

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

5.645

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.75

Polar Surface Area

64.435

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D158-0531 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 D158-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0531?
Check Price and Availability of D158-0531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D158-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0531
  • 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 D158-0531 available by request