C382-0206 Screening compound: 4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C382-0206 Screening compound: 4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
C382-0206 Screening compound: 4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0206
4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

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

C382-0206

Molecular Formula

C27H32N4O3S (C27 H32 N4 O3 S)

Compound Name

4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

IUPAC name

4-[(4-methylbenzenesulfonamido)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

SMILES

Cc(cc1)ccc1S(NCc(cc1)ccc1C(NCCN(CC1)CCN1c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H32N4O3S/c1-22-7-13-26(14-8-22)35(33,34)29-21-23-9-11-24(12-10-23)27(32)28-15-16-30-17-19-31(20-18-30)25-5-3-2-4-6-25/h2-14,29H,15-21H2,1H3,(H,28,32)

InChI Key

HALMNKNJZDZIBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.78

Polar Surface Area

73.494

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C382-0206 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C382-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0206?
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What is the minimum amount of C382-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0206
  • 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 C382-0206 available by request