C382-0091 Screening compound: 4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]benzamide

C382-0091 Screening compound: 4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]benzamide
C382-0091 Screening compound: 4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0091
4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]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

C382-0091

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

4-[(4-methoxybenzenesulfonamido)methyl]-N-[(pyridin-3-yl)methyl]benzamide

SMILES

COc(cc1)ccc1S(NCc(cc1)ccc1C(NCc1cnccc1)=O)(=O)=O

InChI

InChI=1S/C21H21N3O4S/c1-28-19-8-10-20(11-9-19)29(26,27)24-15-16-4-6-18(7-5-16)21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25)

InChI Key

JIRLMLNIPHXLAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.38

Polar Surface Area

83.472

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C382-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Pool
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with C382-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0091?
Check Price and Availability of C382-0091, 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 C382-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0091
  • 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 C382-0091 available by request