K940-4002 Screening compound: methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate

K940-4002 Screening compound: methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate
K940-4002 Screening compound: methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-4002
methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate

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

K940-4002

Molecular Formula

C21H24ClN3O6S (C21 H24 ClN3 O6 S)

Compound Name

methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(CC1)CCN1S(c(cc(cc1)Cl)c1OC)(=O)=O)=O)=O

InChI

InChI=1S/C21H24ClN3O6S/c1-30-18-8-5-16(22)13-19(18)32(28,29)25-11-9-24(10-12-25)14-20(26)23-17-6-3-15(4-7-17)21(27)31-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)

InChI Key

SZNXYPSSADIZPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.96

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.64

Polar Surface Area

87.443

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K940-4002 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K940-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-4002?
Check Price and Availability of K940-4002, 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 K940-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-4002
  • 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 K940-4002 available by request