D074-0119 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0119 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0119 Screening compound: 3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0119
3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-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

D074-0119

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4-(4-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)ccc1OC)C2=O

InChI

InChI=1S/C21H21N3O4/c1-27-12-11-24-20(13-7-9-14(28-2)10-8-13)17-18(22-23-19(17)21(24)26)15-5-3-4-6-16(15)25/h3-10,20,25H,11-12H2,1-2H3,(H,22,23)/t20-/m0/s1

InChI Key

ZGYQAUDERWNFTQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06613143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

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

3.548

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.17

Polar Surface Area

72.823

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D074-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D074-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0119?
Check Price and Availability of D074-0119, 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 D074-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0119
  • 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 D074-0119 available by request