8017-7043 Screening compound: N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide

8017-7043 Screening compound: N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide
8017-7043 Screening compound: N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7043
N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide

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

8017-7043

Molecular Formula

C22H29N3O4S (C22 H29 N3 O4 S)

Compound Name

N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide

IUPAC name

N-ethyl-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}benzene-1-sulfonamide

SMILES

CCNS(c1ccc(CCC(N(CC2)CCN2c(cc2)ccc2OC)=O)cc1)(=O)=O

InChI

InChI=1S/C22H29N3O4S/c1-3-23-30(27,28)21-11-4-18(5-12-21)6-13-22(26)25-16-14-24(15-17-25)19-7-9-20(29-2)10-8-19/h4-5,7-12,23H,3,6,13-17H2,1-2H3

InChI Key

AXKKRESHOVAKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.59

Polar Surface Area

68.819

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8017-7043 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8017-7043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7043?
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What is the minimum amount of 8017-7043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7043
  • 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 8017-7043 available by request