3553-2084 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide

3553-2084 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide
3553-2084 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2084
N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide

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

3553-2084

Molecular Formula

C15H12BrN3O2S (C15 H12 BrN3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide

IUPAC name

N-(213-benzothiadiazol-4-yl)-3-bromo-4-ethoxybenzamide

SMILES

CCOc(ccc(C(Nc1cccc2nsnc12)=O)c1)c1Br

InChI

InChI=1S/C15H12BrN3O2S/c1-2-21-13-7-6-9(8-10(13)16)15(20)17-11-4-3-5-12-14(11)19-22-18-12/h3-8H,2H2,1H3,(H,17,20)

InChI Key

LVHDRWQOGARPQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.231

Water Solubility, LogSw

-4.33

Polar Surface Area

50.795

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3553-2084 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3553-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2084?
Check Price and Availability of 3553-2084, 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 3553-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2084
  • 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 3553-2084 available by request