4721-0713 Screening compound: N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide

4721-0713 Screening compound: N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide
4721-0713 Screening compound: N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-0713
N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide

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

4721-0713

Molecular Formula

C20H23BrN4O4 (C20 H23 BrN4 O4)

Compound Name

N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide

IUPAC name

N'-{2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl}-N-[(furan-2-yl)methyl]ethanediamide

SMILES

O=C(C(NCc1ccco1)=O)NCCN(CC1)CCN1C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H23BrN4O4/c21-16-5-3-15(4-6-16)20(28)25-11-9-24(10-12-25)8-7-22-18(26)19(27)23-14-17-2-1-13-29-17/h1-6,13H,7-12,14H2,(H,22,26)(H,23,27)

InChI Key

UGICUZRFPBHBJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

1.425

Water Solubility, LogSw

-1.82

Polar Surface Area

77.366

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4721-0713 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4721-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-0713?
Check Price and Availability of 4721-0713, 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 4721-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-0713
  • 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 4721-0713 available by request