D225-0014 Screening compound: 5-methyl-3-(4-methylphenyl)-4-(pyridin-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D225-0014 Screening compound: 5-methyl-3-(4-methylphenyl)-4-(pyridin-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D225-0014 Screening compound: 5-methyl-3-(4-methylphenyl)-4-(pyridin-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D225-0014
5-methyl-3-(4-methylphenyl)-4-(pyridin-2-yl)-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

D225-0014

Molecular Formula

C18H16N4O (C18 H16 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c1ncccc1)N(C)C2=O

InChI

InChI=1S/C18H16N4O/c1-11-6-8-12(9-7-11)15-14-16(21-20-15)18(23)22(2)17(14)13-5-3-4-10-19-13/h3-10,17H,1-2H3,(H,20,21)/t17-/m0/s1

InChI Key

XBUYSVTYZMEYOI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14815002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.56

Polar Surface Area

49.224

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D225-0014 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D225-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D225-0014?
Check Price and Availability of D225-0014, 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 D225-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D225-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D225-0014
  • 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 D225-0014 available by request