C390-0078 Screening compound: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0078 Screening compound: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0078 Screening compound: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0078
5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(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

C390-0078

Molecular Formula

C26H22BrN3O4 (C26 H22 BrN3 O4)

Compound Name

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

IUPAC name

5-(4-bromophenyl)-4-(24-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c(ccc(OC)c1)c1OC)N2c(cc1)ccc1Br

InChI

InChI=1S/C26H22BrN3O4/c1-32-18-10-4-15(5-11-18)23-22-24(29-28-23)26(31)30(17-8-6-16(27)7-9-17)25(22)20-13-12-19(33-2)14-21(20)34-3/h4-14,25H,1-3H3,(H,28,29)/t25-/m1/s1

InChI Key

RXNORBQOOQKQOL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD09661267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-5.50

Polar Surface Area

62.245

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C390-0078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C390-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0078?
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What is the minimum amount of C390-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0078
  • 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 C390-0078 available by request