8016-5640 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(methylsulfanyl)benzene-1-sulfonamide

8016-5640 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(methylsulfanyl)benzene-1-sulfonamide
8016-5640 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(methylsulfanyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5640
N-(2H-1,3-benzodioxol-5-yl)-4-(methylsulfanyl)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

8016-5640

Molecular Formula

C14H13NO4S2 (C14 H13 NO4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(methylsulfanyl)benzene-1-sulfonamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(methylsulfanyl)benzene-1-sulfonamide

SMILES

CSc(cc1)ccc1S(Nc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C14H13NO4S2/c1-20-11-3-5-12(6-4-11)21(16,17)15-10-2-7-13-14(8-10)19-9-18-13/h2-8,15H,9H2,1H3

InChI Key

HQSCENGNYMABTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

3.485

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.78

Polar Surface Area

58.003

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8016-5640 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-5640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5640?
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What is the minimum amount of 8016-5640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5640
  • 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 8016-5640 available by request