3042-4935 Screening compound: 4-(4-BROMOBENZOYL)-5-(4-FLUOROPHENYL)-3-HYDROXY-1-(PYRIDIN-2-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

3042-4935 Screening compound: 4-(4-BROMOBENZOYL)-5-(4-FLUOROPHENYL)-3-HYDROXY-1-(PYRIDIN-2-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
3042-4935 Screening compound: 4-(4-BROMOBENZOYL)-5-(4-FLUOROPHENYL)-3-HYDROXY-1-(PYRIDIN-2-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3042-4935
4-(4-BROMOBENZOYL)-5-(4-FLUOROPHENYL)-3-HYDROXY-1-(PYRIDIN-2-YL)-2,5-DIHYDRO-1H-PYRROL-2-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

3042-4935

Molecular Formula

C22H14BrFN2O3 (C22 H14 BrFN2 O3)

Compound Name

4-(4-BROMOBENZOYL)-5-(4-FLUOROPHENYL)-3-HYDROXY-1-(PYRIDIN-2-YL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

IUPAC name

n/a

SMILES

OC(C(N(C1c(cc2)ccc2F)c2ncccc2)=O)=C1C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C22H14BrFN2O3/c23-15-8-4-14(5-9-15)20(27)18-19(13-6-10-16(24)11-7-13)26(22(29)21(18)28)17-3-1-2-12-25-17/h1-12,19,28H/t19-/m1/s1

InChI Key

LSNFIRITVLJICT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01541707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.52

Polar Surface Area

52.727

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

3042-4935 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3042-4935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3042-4935?
Check Price and Availability of 3042-4935, 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 3042-4935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3042-4935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3042-4935
  • 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 3042-4935 available by request