D225-0057 Screening compound: 3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D225-0057 Screening compound: 3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D225-0057 Screening compound: 3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D225-0057
3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-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

D225-0057

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(3-methoxyphenyl)-5-propyl-4-(pyridin-3-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCN(C(c1c2[nH]nc1-c1cc(OC)ccc1)c1cnccc1)C2=O

InChI

InChI=1S/C20H20N4O2/c1-3-10-24-19(14-7-5-9-21-12-14)16-17(22-23-18(16)20(24)25)13-6-4-8-15(11-13)26-2/h4-9,11-12,19H,3,10H2,1-2H3,(H,22,23)/t19-/m0/s1

InChI Key

BBMJCIODGKFZTK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10702033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.00

Polar Surface Area

57.450

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D225-0057 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D225-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D225-0057?
Check Price and Availability of D225-0057, 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 D225-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D225-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D225-0057
  • 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 D225-0057 available by request