D216-0239 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

D216-0239 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
D216-0239 Screening compound: 1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0239
1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-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

D216-0239

Molecular Formula

C18H17F3N6O2S (C18 H17 F3 N6 O2 S)

Compound Name

1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=S(c(cc1)ccc1-n1nnnc1)(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C18H17F3N6O2S/c19-18(20,21)14-2-1-3-16(12-14)25-8-10-26(11-9-25)30(28,29)17-6-4-15(5-7-17)27-13-22-23-24-27/h1-7,12-13H,8-11H2

InChI Key

HPIAJHNOHBLAQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.43

Polar Surface Area

74.975

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D216-0239 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0239?
Check Price and Availability of D216-0239, 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 D216-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0239
  • 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 D216-0239 available by request