6732-0162 Screening compound: 4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide

6732-0162 Screening compound: 4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide
6732-0162 Screening compound: 4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0162
4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide

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

6732-0162

Molecular Formula

C20H30N4O4S2 (C20 H30 N4 O4 S2)

Compound Name

4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide

IUPAC name

4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-N-methylbenzene-1-sulfonamide

SMILES

CN(C1CCCCC1)S(c(cc1)ccc1S(N1CCN(CCC#N)CC1)(=O)=O)(=O)=O

InChI

InChI=1S/C20H30N4O4S2/c1-22(18-6-3-2-4-7-18)29(25,26)19-8-10-20(11-9-19)30(27,28)24-16-14-23(15-17-24)13-5-12-21/h8-11,18H,2-7,13-17H2,1H3

InChI Key

XJRHLKGLYCZPNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.36

Polar Surface Area

85.886

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

6732-0162 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6732-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0162?
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What is the minimum amount of 6732-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0162
  • 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 6732-0162 available by request