4092-0089 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-(3,5-dimethoxybenzoyl)piperazine

4092-0089 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-(3,5-dimethoxybenzoyl)piperazine
4092-0089 Screening compound: 1-(4-chlorobenzenesulfonyl)-4-(3,5-dimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0089
1-(4-chlorobenzenesulfonyl)-4-(3,5-dimethoxybenzoyl)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

4092-0089

Molecular Formula

C19H21ClN2O5S (C19 H21 ClN2 O5 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-4-(3,5-dimethoxybenzoyl)piperazine

IUPAC name

1-(4-chlorobenzenesulfonyl)-4-(35-dimethoxybenzoyl)piperazine

SMILES

COc1cc(C(N(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C19H21ClN2O5S/c1-26-16-11-14(12-17(13-16)27-2)19(23)21-7-9-22(10-8-21)28(24,25)18-5-3-15(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3

InChI Key

BTVKGPXFMLTUQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.54

Polar Surface Area

63.493

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4092-0089 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4092-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0089?
Check Price and Availability of 4092-0089, 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 4092-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0089
  • 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 4092-0089 available by request