C390-0090 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0090 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0090 Screening compound: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0090
5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(pyridin-3-yl)-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

C390-0090

Molecular Formula

C23H17BrN4O2 (C23 H17 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c1cnccc1)N2c(cc1)ccc1Br

InChI

InChI=1S/C23H17BrN4O2/c1-30-18-10-4-14(5-11-18)20-19-21(27-26-20)23(29)28(17-8-6-16(24)7-9-17)22(19)15-3-2-12-25-13-15/h2-13,22H,1H3,(H,26,27)/t22-/m1/s1

InChI Key

OJAVDLAJYILZHX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04060678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.09

Polar Surface Area

56.589

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

C390-0090 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
  • 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 C390-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0090?
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What is the minimum amount of C390-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0090
  • 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 C390-0090 available by request