D225-0039 Screening compound: 4-(4-hydroxyphenyl)-3-phenyl-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D225-0039 Screening compound: 4-(4-hydroxyphenyl)-3-phenyl-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D225-0039 Screening compound: 4-(4-hydroxyphenyl)-3-phenyl-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D225-0039
4-(4-hydroxyphenyl)-3-phenyl-5-propyl-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

D225-0039

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

4-(4-hydroxyphenyl)-3-phenyl-5-propyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-hydroxyphenyl)-3-phenyl-5-propyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCN(C(c1c2[nH]nc1-c1ccccc1)c(cc1)ccc1O)C2=O

InChI

InChI=1S/C20H19N3O2/c1-2-12-23-19(14-8-10-15(24)11-9-14)16-17(13-6-4-3-5-7-13)21-22-18(16)20(23)25/h3-11,19,24H,2,12H2,1H3,(H,21,22)/t19-/m0/s1

InChI Key

IAJNSFZSRDSARQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10702109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.37

Polar Surface Area

58.006

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D225-0039 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D225-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D225-0039?
Check Price and Availability of D225-0039, 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 D225-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D225-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D225-0039
  • 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 D225-0039 available by request