4721-1010 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}ethanediamide

4721-1010 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}ethanediamide
4721-1010 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-1010
N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}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

4721-1010

Molecular Formula

C23H30N4O5S (C23 H30 N4 O5 S)

Compound Name

N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}ethanediamide

IUPAC name

N'-(4-ethoxyphenyl)-N-{2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethyl}ethanediamide

SMILES

CCOc(cc1)ccc1NC(C(NCCN(CC1)CCN1S(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C23H30N4O5S/c1-3-32-20-8-6-19(7-9-20)25-23(29)22(28)24-12-13-26-14-16-27(17-15-26)33(30,31)21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3,(H,24,28)(H,25,29)

InChI Key

HIBCOKBOBBRNMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01802455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.207

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.91

Polar Surface Area

90.481

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

4721-1010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4721-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-1010?
Check Price and Availability of 4721-1010, 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 4721-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-1010
  • 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 4721-1010 available by request