5707-1236 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-ethoxybenzene-1-sulfonamide

5707-1236 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-ethoxybenzene-1-sulfonamide
5707-1236 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-ethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5707-1236
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-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

5707-1236

Molecular Formula

C16H16BrNO5S (C16 H16 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(Br)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

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

InChI Key

HWMLWOJHAZPJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03132183

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

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-3.89

Polar Surface Area

66.322

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5707-1236 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5707-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5707-1236?
Check Price and Availability of 5707-1236, 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 5707-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5707-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5707-1236
  • 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 5707-1236 available by request