2294-0396 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

2294-0396 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
2294-0396 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2294-0396
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

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

2294-0396

Molecular Formula

C19H19F3N2O4S (C19 H19 F3 N2 O4 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=S(c(cc1)cc2c1OCCO2)(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-2-1-3-15(12-14)23-6-8-24(9-7-23)29(25,26)16-4-5-17-18(13-16)28-11-10-27-17/h1-5,12-13H,6-11H2

InChI Key

DVQBBVZTMLLHQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01831108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.34

Polar Surface Area

51.033

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

2294-0396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2294-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2294-0396?
Check Price and Availability of 2294-0396, 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 2294-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2294-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2294-0396
  • 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 2294-0396 available by request