8009-6616 Screening compound: 4-(4-chlorophenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

8009-6616 Screening compound: 4-(4-chlorophenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
8009-6616 Screening compound: 4-(4-chlorophenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6616
4-(4-chlorophenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-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

8009-6616

Molecular Formula

C24H15ClF3N3O (C24 H15 ClF3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(C2c(cc3)ccc3Cl)c(-c3ccccc3)n[nH]1)N2c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C24H15ClF3N3O/c25-17-11-9-15(10-12-17)22-19-20(14-5-2-1-3-6-14)29-30-21(19)23(32)31(22)18-8-4-7-16(13-18)24(26,27)28/h1-13,22H,(H,29,30)/t22-/m1/s1

InChI Key

WXYOEIDFZJGSCN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01819557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.049

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-6.58

Polar Surface Area

39.527

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8009-6616 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8009-6616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6616?
Check Price and Availability of 8009-6616, 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 8009-6616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6616
  • 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 8009-6616 available by request