8017-3454 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide

8017-3454 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide
8017-3454 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3454
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-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

8017-3454

Molecular Formula

C16H16BrNO5S (C16 H16 BrNO5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-bromo-3-ethoxybenzene-1-sulfonamide

SMILES

CCOc(cc(cc1)S(NCc(cc2)cc3c2OCO3)(=O)=O)c1Br

InChI

InChI=1S/C16H16BrNO5S/c1-2-21-15-8-12(4-5-13(15)17)24(19,20)18-9-11-3-6-14-16(7-11)23-10-22-14/h3-8,18H,2,9-10H2,1H3

InChI Key

NNLPPNXRUVJXCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-3.95

Polar Surface Area

66.322

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-3454 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-3454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3454?
Check Price and Availability of 8017-3454, 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 8017-3454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3454
  • 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 8017-3454 available by request