0466-0046 Screening compound: N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)benzamide

0466-0046 Screening compound: N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)benzamide
0466-0046 Screening compound: N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0046
N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)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

0466-0046

Molecular Formula

C18H18BrClN2O3S (C18 H18 BrClN2 O3 S)

Compound Name

N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)benzamide

IUPAC name

N-(4-bromophenyl)-2-chloro-5-(piperidine-1-sulfonyl)benzamide

SMILES

O=C(c(cc(cc1)S(N2CCCCC2)(=O)=O)c1Cl)Nc(cc1)ccc1Br

InChI

InChI=1S/C18H18BrClN2O3S/c19-13-4-6-14(7-5-13)21-18(23)16-12-15(8-9-17(16)20)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)

InChI Key

GEBXWDJGMDASSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.93

Polar Surface Area

55.041

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

0466-0046 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0466-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0046?
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What is the minimum amount of 0466-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0046
  • 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 0466-0046 available by request