D216-0291 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

D216-0291 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide
D216-0291 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0291
4-(1H-1,2,3,4-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

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

D216-0291

Molecular Formula

C15H12F3N5O2S (C15 H12 F3 N5 O2 S)

Compound Name

4-(1H-1,2,3,4-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

IUPAC name

4-(1H-1234-tetrazol-1-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1-n1nnnc1)(NCc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C15H12F3N5O2S/c16-15(17,18)12-3-1-11(2-4-12)9-20-26(24,25)14-7-5-13(6-8-14)23-10-19-21-22-23/h1-8,10,20H,9H2

InChI Key

UAWBXUSEUBGTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.56

Polar Surface Area

81.762

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D216-0291 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0291?
Check Price and Availability of D216-0291, 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 D216-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0291
  • 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 D216-0291 available by request