C390-0148 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0148 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0148 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0148
5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-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

C390-0148

Molecular Formula

C20H18BrN3O3 (C20 H18 BrN3 O3)

Compound Name

5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOc(cc(C(c1c(C2=O)[nH]nc1C)N2c(cc1)ccc1Br)cc1)c1O

InChI

InChI=1S/C20H18BrN3O3/c1-3-27-16-10-12(4-9-15(16)25)19-17-11(2)22-23-18(17)20(26)24(19)14-7-5-13(21)6-8-14/h4-10,19,25H,3H2,1-2H3,(H,22,23)/t19-/m1/s1

InChI Key

JZLRHKXCRQSFDX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04033765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.56

Polar Surface Area

63.363

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C390-0148 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C390-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0148?
Check Price and Availability of C390-0148, 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 C390-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0148
  • 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 C390-0148 available by request