5708-0763 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,4-dimethylbenzene-1-sulfonamide

5708-0763 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,4-dimethylbenzene-1-sulfonamide
5708-0763 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,4-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5708-0763
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,4-dimethylbenzene-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

5708-0763

Molecular Formula

C16H16BrNO4S (C16 H16 BrNO4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-bromo-24-dimethylbenzene-1-sulfonamide

SMILES

Cc(c(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)cc(C)c1Br

InChI

InChI=1S/C16H16BrNO4S/c1-10-5-11(2)16(7-13(10)17)23(19,20)18-8-12-3-4-14-15(6-12)22-9-21-14/h3-7,18H,8-9H2,1-2H3

InChI Key

WAEWHJZCRPGPFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03039334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.35

Polar Surface Area

59.112

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5708-0763 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

NOTUM (Wnt signaling) Library (3881 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 5708-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5708-0763?
Check Price and Availability of 5708-0763, 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 5708-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5708-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5708-0763
  • 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 5708-0763 available by request