C085-1331 Screening compound: 4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C085-1331 Screening compound: 4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C085-1331 Screening compound: 4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-1331
4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

C085-1331

Molecular Formula

C18H20N4O3S2 (C18 H20 N4 O3 S2)

Compound Name

4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

CCOc(cccc1)c1N(CC1)CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C18H20N4O3S2/c1-2-25-16-8-4-3-7-15(16)21-10-12-22(13-11-21)27(23,24)17-9-5-6-14-18(17)20-26-19-14/h3-9H,2,10-13H2,1H3

InChI Key

KEOXLYIBJADNMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03944996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.72

Polar Surface Area

63.072

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C085-1331 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 C085-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-1331?
Check Price and Availability of C085-1331, 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 C085-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-1331
  • 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 C085-1331 available by request