8013-3281 Screening compound: N~2~-(6-methoxy-3-pyridyl)dibenzo[b,d]furan-2-sulfonamide

8013-3281 Screening compound: N~2~-(6-methoxy-3-pyridyl)dibenzo[b,d]furan-2-sulfonamide
8013-3281 Screening compound: N~2~-(6-methoxy-3-pyridyl)dibenzo[b,d]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3281
N~2~-(6-methoxy-3-pyridyl)dibenzo[b,d]furan-2-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

8013-3281

Molecular Formula

C18H14N2O4S (C18 H14 N2 O4 S)

Compound Name

N~2~-(6-methoxy-3-pyridyl)dibenzo[b,d]furan-2-sulfonamide

IUPAC name

N-(6-methoxypyridin-3-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)246911-hexaene-4-sulfonamide

SMILES

COc(cc1)ncc1NS(c(cc1)cc2c1oc1c2cccc1)(=O)=O

InChI

InChI=1S/C18H14N2O4S/c1-23-18-9-6-12(11-19-18)20-25(21,22)13-7-8-17-15(10-13)14-4-2-3-5-16(14)24-17/h2-11,20H,1H3

InChI Key

JUGYSTXVJYRXPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.30

Polar Surface Area

65.384

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8013-3281 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3281?
Check Price and Availability of 8013-3281, 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 8013-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3281
  • 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 8013-3281 available by request