8436-0021 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide

8436-0021 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide
8436-0021 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8436-0021
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide

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

8436-0021

Molecular Formula

C16H14ClN3O2S (C16 H14 ClN3 O2 S)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-2-(34-dimethylphenoxy)acetamide

SMILES

Cc(cc1)c(C)cc1OCC(Nc(c1nsnc1cc1)c1Cl)=O

InChI

InChI=1S/C16H14ClN3O2S/c1-9-3-4-11(7-10(9)2)22-8-14(21)18-15-12(17)5-6-13-16(15)20-23-19-13/h3-7H,8H2,1-2H3,(H,18,21)

InChI Key

CEJZGMPOVXRWCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.82

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

4.539

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.55

Polar Surface Area

50.172

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8436-0021 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8436-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8436-0021?
Check Price and Availability of 8436-0021, 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 8436-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8436-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8436-0021
  • 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 8436-0021 available by request