3553-2125 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3,5-diethoxybenzamide

3553-2125 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3,5-diethoxybenzamide
3553-2125 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3,5-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2125
N-(2,1,3-benzothiadiazol-4-yl)-3,5-diethoxybenzamide

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

3553-2125

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-3,5-diethoxybenzamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-35-diethoxybenzamide

SMILES

CCOc1cc(C(Nc2cccc3nsnc23)=O)cc(OCC)c1

InChI

InChI=1S/C17H17N3O3S/c1-3-22-12-8-11(9-13(10-12)23-4-2)17(21)18-14-6-5-7-15-16(14)20-24-19-15/h5-10H,3-4H2,1-2H3,(H,18,21)

InChI Key

LBNBRDHACQKDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.25

Polar Surface Area

57.832

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3553-2125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2125?
Check Price and Availability of 3553-2125, 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 3553-2125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2125
  • 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 3553-2125 available by request