7491-0142 Screening compound: 4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide

7491-0142 Screening compound: 4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide
7491-0142 Screening compound: 4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0142
4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}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

7491-0142

Molecular Formula

C20H23ClN4O2S (C20 H23 ClN4 O2 S)

Compound Name

4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzene-1-sulfonamide

SMILES

Cn1c(ccc(NS(c(cc2)ccc2Cl)(=O)=O)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C20H23ClN4O2S/c1-24-19-10-7-16(23-28(26,27)17-8-5-15(21)6-9-17)13-18(19)22-20(24)14-25-11-3-2-4-12-25/h5-10,13,23H,2-4,11-12,14H2,1H3

InChI Key

HBBFUJSZOKAJPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-4.26

Polar Surface Area

56.607

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7491-0142 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7491-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0142?
Check Price and Availability of 7491-0142, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7491-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0142
  • 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 7491-0142 available by request