6732-0158 Screening compound: N-butyl-4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}benzene-1-sulfonamide

6732-0158 Screening compound: N-butyl-4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}benzene-1-sulfonamide
6732-0158 Screening compound: N-butyl-4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0158
N-butyl-4-{[4-(2-cyanoethyl)piperazin-1-yl]sulfonyl}benzene-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

6732-0158

Molecular Formula

C17H26N4O4S2 (C17 H26 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCNS(c(cc1)ccc1S(N1CCN(CCC#N)CC1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H26N4O4S2/c1-2-3-10-19-26(22,23)16-5-7-17(8-6-16)27(24,25)21-14-12-20(13-15-21)11-4-9-18/h5-8,19H,2-4,10-15H2,1H3

InChI Key

RUTOFGSUIZGINZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-2.54

Polar Surface Area

95.103

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

6732-0158 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6732-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0158?
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What is the minimum amount of 6732-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0158
  • 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 6732-0158 available by request