8002-6202 Screening compound: N-{2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-1-sulfonamide

8002-6202 Screening compound: N-{2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-1-sulfonamide
8002-6202 Screening compound: N-{2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6202
N-{2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-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

8002-6202

Molecular Formula

C17H18N2O4S (C17 H18 N2 O4 S)

Compound Name

N-{2-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{2-[(E)-[(2H-13-benzodioxol-5-yl)methylidene]amino]ethyl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCC/N=C/c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C17H18N2O4S/c1-13-2-5-15(6-3-13)24(20,21)19-9-8-18-11-14-4-7-16-17(10-14)23-12-22-16/h2-7,10-11,19H,8-9,12H2,1H3

InChI Key

HSBBMRSMTSZOJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

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

3.400

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.71

Polar Surface Area

67.729

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 8002-6202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6202?
Check Price and Availability of 8002-6202, 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 8002-6202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6202
  • 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 8002-6202 available by request