C382-0234 Screening compound: N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-methylbenzene-1-sulfonamide

C382-0234 Screening compound: N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-methylbenzene-1-sulfonamide
C382-0234 Screening compound: N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0234
N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-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

C382-0234

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCc(cc1)ccc1C(N1CCN(Cc2ccccc2)CC1)=O)(=O)=O

InChI

InChI=1S/C26H29N3O3S/c1-21-7-13-25(14-8-21)33(31,32)27-19-22-9-11-24(12-10-22)26(30)29-17-15-28(16-18-29)20-23-5-3-2-4-6-23/h2-14,27H,15-20H2,1H3

InChI Key

ASPBUUVBTWTTAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09849075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.70

Polar Surface Area

62.185

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

C382-0234 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C382-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0234?
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What is the minimum amount of C382-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0234
  • 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 C382-0234 available by request