4964-0898 Screening compound: 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethan-1-one

4964-0898 Screening compound: 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethan-1-one
4964-0898 Screening compound: 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-0898
2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethan-1-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

4964-0898

Molecular Formula

C21H23BrN2O5 (C21 H23 BrN2 O5)

Compound Name

2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(4-bromophenoxy)-1-[4-(34-dimethoxybenzoyl)piperazin-1-yl]ethan-1-one

SMILES

COc(ccc(C(N(CC1)CCN1C(COc(cc1)ccc1Br)=O)=O)c1)c1OC

InChI

InChI=1S/C21H23BrN2O5/c1-27-18-8-3-15(13-19(18)28-2)21(26)24-11-9-23(10-12-24)20(25)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3

InChI Key

UXNDCYOOZQJOMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.51

Polar Surface Area

55.575

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4964-0898 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4964-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-0898?
Check Price and Availability of 4964-0898, 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 4964-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-0898
  • 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 4964-0898 available by request