8016-9644 Screening compound: N~1~-{3-[(4-benzoylpiperazino)sulfonyl]phenyl}-1-benzenesulfonamide

8016-9644 Screening compound: N~1~-{3-[(4-benzoylpiperazino)sulfonyl]phenyl}-1-benzenesulfonamide
8016-9644 Screening compound: N~1~-{3-[(4-benzoylpiperazino)sulfonyl]phenyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9644
N~1~-{3-[(4-benzoylpiperazino)sulfonyl]phenyl}-1-benzenesulfonamide

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

8016-9644

Molecular Formula

C23H23N3O5S2 (C23 H23 N3 O5 S2)

Compound Name

N~1~-{3-[(4-benzoylpiperazino)sulfonyl]phenyl}-1-benzenesulfonamide

IUPAC name

N-{3-[(4-benzoylpiperazin-1-yl)sulfonyl]phenyl}benzenesulfonamide

SMILES

O=C(c1ccccc1)N(CC1)CCN1S(c1cc(NS(c2ccccc2)(=O)=O)ccc1)(=O)=O

InChI

InChI=1S/C23H23N3O5S2/c27-23(19-8-3-1-4-9-19)25-14-16-26(17-15-25)33(30,31)22-13-7-10-20(18-22)24-32(28,29)21-11-5-2-6-12-21/h1-13,18,24H,14-17H2

InChI Key

SHPSSEOIZOTJJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-3.34

Polar Surface Area

89.055

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

8016-9644 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9644?
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What is the minimum amount of 8016-9644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9644
  • 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 8016-9644 available by request