4485-0564 Screening compound: 5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-2,5-dihydro-1H-pyrrol-2-one

4485-0564 Screening compound: 5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-2,5-dihydro-1H-pyrrol-2-one
4485-0564 Screening compound: 5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4485-0564
5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-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

4485-0564

Molecular Formula

C22H17BrN2O (C22 H17 BrN2 O)

Compound Name

5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(4-bromophenyl)-1-phenyl-3-(phenylamino)-25-dihydro-1H-pyrrol-2-one

SMILES

O=C(C(Nc1ccccc1)=CC1c(cc2)ccc2Br)N1c1ccccc1

InChI

InChI=1S/C22H17BrN2O/c23-17-13-11-16(12-14-17)21-15-20(24-18-7-3-1-4-8-18)22(26)25(21)19-9-5-2-6-10-19/h1-15,21,24H/t21-/m0/s1

InChI Key

RLHPSKHRDKGWAZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00209396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.69

Polar Surface Area

25.729

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

4485-0564 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4485-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4485-0564?
Check Price and Availability of 4485-0564, 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 4485-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4485-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4485-0564
  • 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 4485-0564 available by request