8010-0468 Screening compound: 2,5-diethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

8010-0468 Screening compound: 2,5-diethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
8010-0468 Screening compound: 2,5-diethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0468
2,5-diethoxy-N-[(pyridin-3-yl)methyl]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

8010-0468

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

2,5-diethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

IUPAC name

25-diethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

SMILES

CCOc(cc1)cc(S(NCc2cnccc2)(=O)=O)c1OCC

InChI

InChI=1S/C16H20N2O4S/c1-3-21-14-7-8-15(22-4-2)16(10-14)23(19,20)18-12-13-6-5-9-17-11-13/h5-11,18H,3-4,12H2,1-2H3

InChI Key

MSRBGACACMLQPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

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

2.263

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.38

Polar Surface Area

65.848

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8010-0468 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8010-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0468?
Check Price and Availability of 8010-0468, 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 8010-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0468
  • 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 8010-0468 available by request