3553-2122 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide

3553-2122 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide
3553-2122 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2122
N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide

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

3553-2122

Molecular Formula

C14H10BrN3O2S (C14 H10 BrN3 O2 S)

Compound Name

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

IUPAC name

N-(213-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide

SMILES

COc(ccc(Br)c1)c1C(Nc1cccc2nsnc12)=O

InChI

InChI=1S/C14H10BrN3O2S/c1-20-12-6-5-8(15)7-9(12)14(19)16-10-3-2-4-11-13(10)18-21-17-11/h2-7H,1H3,(H,16,19)

InChI Key

UNAGYJGXLPQSBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-4.40

Polar Surface Area

51.215

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 3553-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2122?
Check Price and Availability of 3553-2122, 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 3553-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2122
  • 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 3553-2122 available by request