K831-0196 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

K831-0196 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
K831-0196 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K831-0196
1-(4-chlorobenzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

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

K831-0196

Molecular Formula

C20H25ClN2O5S (C20 H25 ClN2 O5 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-(4-chlorobenzenesulfonyl)-4-[(234-trimethoxyphenyl)methyl]piperazine

SMILES

COc(ccc(CN(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)c1OC)c1OC

InChI

InChI=1S/C20H25ClN2O5S/c1-26-18-9-4-15(19(27-2)20(18)28-3)14-22-10-12-23(13-11-22)29(24,25)17-7-5-16(21)6-8-17/h4-9H,10-14H2,1-3H3

InChI Key

RWGGYJNQHCCMKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.58

Polar Surface Area

58.554

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K831-0196 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K831-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K831-0196?
Check Price and Availability of K831-0196, 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 K831-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K831-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K831-0196
  • 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 K831-0196 available by request