7888-0672 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

7888-0672 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
7888-0672 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7888-0672
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]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

7888-0672

Molecular Formula

C17H16ClN3O2S (C17 H16 ClN3 O2 S)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(cc1)ccc1OCC(Nc(c1nsnc1cc1)c1Cl)=O

InChI

InChI=1S/C17H16ClN3O2S/c1-10(2)11-3-5-12(6-4-11)23-9-15(22)19-16-13(18)7-8-14-17(16)21-24-20-14/h3-8,10H,9H2,1-2H3,(H,19,22)

InChI Key

CVOQBJRKXYAQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07087028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.92

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

23.50

7888-0672 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 7888-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7888-0672?
Check Price and Availability of 7888-0672, 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 7888-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7888-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7888-0672
  • 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 7888-0672 available by request