3042-4956 Screening compound: 4-(4-methoxyphenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

3042-4956 Screening compound: 4-(4-methoxyphenyl)-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
3042-4956 Screening compound: 4-(4-methoxyphenyl)-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 3042-4956
4-(4-methoxyphenyl)-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

3042-4956

Molecular Formula

C25H18F3N3O2 (C25 H18 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(c2c(C3=O)[nH]nc2-c2ccccc2)N3c2cccc(C(F)(F)F)c2)cc1

InChI

InChI=1S/C25H18F3N3O2/c1-33-19-12-10-16(11-13-19)23-20-21(15-6-3-2-4-7-15)29-30-22(20)24(32)31(23)18-9-5-8-17(14-18)25(26,27)28/h2-14,23H,1H3,(H,29,30)/t23-/m1/s1

InChI Key

KECDZVAZPVJZQR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02042577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-5.64

Polar Surface Area

47.071

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3042-4956 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 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
  • 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 3042-4956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-4956?
Check Price and Availability of 3042-4956, 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 3042-4956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-4956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-4956
  • 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 3042-4956 available by request