D474-0019 Screening compound: 5-(2,5-dimethoxyphenyl)-1-methyl-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one

D474-0019 Screening compound: 5-(2,5-dimethoxyphenyl)-1-methyl-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one
D474-0019 Screening compound: 5-(2,5-dimethoxyphenyl)-1-methyl-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D474-0019
5-(2,5-dimethoxyphenyl)-1-methyl-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-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

D474-0019

Molecular Formula

C26H23N3O3 (C26 H23 N3 O3)

Compound Name

5-(2,5-dimethoxyphenyl)-1-methyl-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one

IUPAC name

5-(25-dimethoxyphenyl)-1-methyl-24-diphenyl-1H2H3H5H-pyrrolo[34-c]pyrazol-3-one

SMILES

CN(c(c(C1=O)c2-c3ccccc3)cn2-c(cc(cc2)OC)c2OC)N1c1ccccc1

InChI

InChI=1S/C26H23N3O3/c1-27-22-17-28(21-16-20(31-2)14-15-23(21)32-3)25(18-10-6-4-7-11-18)24(22)26(30)29(27)19-12-8-5-9-13-19/h4-17H,1-3H3

InChI Key

XFZLSUQPGNJVOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.51

Polar Surface Area

36.239

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D474-0019 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D474-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D474-0019?
Check Price and Availability of D474-0019, 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 D474-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D474-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D474-0019
  • 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 D474-0019 available by request