K940-4047 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide

K940-4047 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide
K940-4047 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-4047
3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)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

K940-4047

Molecular Formula

C22H28ClN3O5S (C22 H28 ClN3 O5 S)

Compound Name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide

IUPAC name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCN(CC1)CCN1S(c(cc(cc1)Cl)c1OC)(=O)=O)=O

InChI

InChI=1S/C22H28ClN3O5S/c1-3-31-19-7-5-18(6-8-19)24-22(27)10-11-25-12-14-26(15-13-25)32(28,29)21-16-17(23)4-9-20(21)30-2/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)

InChI Key

HLRXOUDCGNXAIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.65

Polar Surface Area

73.372

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K940-4047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with K940-4047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-4047?
Check Price and Availability of K940-4047, 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 K940-4047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-4047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-4047
  • 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 K940-4047 available by request