D474-0003 Screening compound: 1-methyl-5-(3-methylphenyl)-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one

D474-0003 Screening compound: 1-methyl-5-(3-methylphenyl)-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one
D474-0003 Screening compound: 1-methyl-5-(3-methylphenyl)-2,4-diphenyl-1H,2H,3H,5H-pyrrolo[3,4-c]pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D474-0003
1-methyl-5-(3-methylphenyl)-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

D474-0003

Molecular Formula

C25H21N3O (C25 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n(cc2N(C)N3c4ccccc4)c(-c4ccccc4)c2C3=O)c1

InChI

InChI=1S/C25H21N3O/c1-18-10-9-15-21(16-18)27-17-22-23(24(27)19-11-5-3-6-12-19)25(29)28(26(22)2)20-13-7-4-8-14-20/h3-17H,1-2H3

InChI Key

MNXCNADFHOBDJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.915

Water Solubility, LogSw

-4.70

Polar Surface Area

21.366

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D474-0003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D474-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D474-0003?
Check Price and Availability of D474-0003, 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 D474-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D474-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D474-0003
  • 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 D474-0003 available by request