4530-7189 Screening compound: 3-(4-fluorophenyl)-4,5-diphenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

4530-7189 Screening compound: 3-(4-fluorophenyl)-4,5-diphenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
4530-7189 Screening compound: 3-(4-fluorophenyl)-4,5-diphenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7189
3-(4-fluorophenyl)-4,5-diphenyl-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

4530-7189

Molecular Formula

C23H16FN3O (C23 H16 FN3 O)

Compound Name

3-(4-fluorophenyl)-4,5-diphenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(4-fluorophenyl)-45-diphenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

O=C(c1c(C2c3ccccc3)c(-c(cc3)ccc3F)n[nH]1)N2c1ccccc1

InChI

InChI=1S/C23H16FN3O/c24-17-13-11-15(12-14-17)20-19-21(26-25-20)23(28)27(18-9-5-2-6-10-18)22(19)16-7-3-1-4-8-16/h1-14,22H,(H,25,26)/t22-/m1/s1

InChI Key

KUMAQABVUFGWPC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03292011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.68

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

4.30

4530-7189 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4530-7189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7189?
Check Price and Availability of 4530-7189, 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 4530-7189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7189
  • 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 4530-7189 available by request