8015-6961 Screening compound: 5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

8015-6961 Screening compound: 5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
8015-6961 Screening compound: 5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6961
5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-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

8015-6961

Molecular Formula

C26H23N3O4 (C26 H23 N3 O4)

Compound Name

5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

IUPAC name

5-(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOc(cc1)ccc1N(C(c1c2[nH]nc1-c1ccccc1)c(cc1)cc(OC)c1O)C2=O

InChI

InChI=1S/C26H23N3O4/c1-3-33-19-12-10-18(11-13-19)29-25(17-9-14-20(30)21(15-17)32-2)22-23(16-7-5-4-6-8-16)27-28-24(22)26(29)31/h4-15,25,30H,3H2,1-2H3,(H,27,28)/t25-/m0/s1

InChI Key

QDZROIKYSULIQJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05257726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-3.93

Polar Surface Area

70.829

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

8015-6961 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8015-6961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6961?
Check Price and Availability of 8015-6961, 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 8015-6961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6961
  • 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 8015-6961 available by request