3003-1153 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethylbenzene-1-sulfonamide

3003-1153 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethylbenzene-1-sulfonamide
3003-1153 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3003-1153
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-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

3003-1153

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-25-dimethylbenzene-1-sulfonamide

SMILES

Cc1cc(S(NCc(cc2)cc3c2OCO3)(=O)=O)c(C)cc1

InChI

InChI=1S/C16H17NO4S/c1-11-3-4-12(2)16(7-11)22(18,19)17-9-13-5-6-14-15(8-13)21-10-20-14/h3-8,17H,9-10H2,1-2H3

InChI Key

ARUSXJJNBOQQKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

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

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.58

Polar Surface Area

59.112

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3003-1153 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3003-1153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3003-1153?
Check Price and Availability of 3003-1153, 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 3003-1153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3003-1153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3003-1153
  • 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 3003-1153 available by request