C390-0029 Screening compound: 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0029 Screening compound: 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0029 Screening compound: 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0029
3-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-hydroxyphenyl)-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

C390-0029

Molecular Formula

C23H15BrClN3O2 (C23 H15 BrClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Oc1cccc(C(c2c(C3=O)[nH]nc2-c(cc2)ccc2Br)N3c(cc2)ccc2Cl)c1

InChI

InChI=1S/C23H15BrClN3O2/c24-15-6-4-13(5-7-15)20-19-21(27-26-20)23(30)28(17-10-8-16(25)9-11-17)22(19)14-2-1-3-18(29)12-14/h1-12,22,29H,(H,26,27)/t22-/m1/s1

InChI Key

MHRJLOPDAYTZQS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD09661137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.89

Polar Surface Area

57.144

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.30

C390-0029 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C390-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0029?
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What is the minimum amount of C390-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0029
  • 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 C390-0029 available by request