K978-0814 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide

K978-0814 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide
K978-0814 Screening compound: 3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0814
3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide

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

K978-0814

Molecular Formula

C17H17BrClNO3S (C17 H17 BrClNO3 S)

Compound Name

3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]propanamide

SMILES

O=C(CCS(c(cc1)ccc1Br)(=O)=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C17H17BrClNO3S/c18-14-3-7-16(8-4-14)24(22,23)12-10-17(21)20-11-9-13-1-5-15(19)6-2-13/h1-8H,9-12H2,(H,20,21)

InChI Key

PNSIAEWDFPLOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.43

Polar Surface Area

53.316

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K978-0814 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with K978-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0814?
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What is the minimum amount of K978-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0814
  • 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 K978-0814 available by request