S956-5213 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-N,N-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

S956-5213 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-N,N-dimethyltetrahydro-1(2H)-pyrazinesulfonamide
S956-5213 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-N,N-dimethyltetrahydro-1(2H)-pyrazinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S956-5213
4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-N,N-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

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

S956-5213

Molecular Formula

C16H21F3N4O3S (C16 H21 F3 N4 O3 S)

Compound Name

4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-N,N-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

IUPAC name

4-[4-cyano-3-(trifluoromethyl)phenyl]-3-(methoxymethyl)-NN-dimethylpiperazine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CC(COC)N1c(cc1)cc(C(F)(F)F)c1C#N)(=O)=O

InChI

InChI=1S/C16H21F3N4O3S/c1-21(2)27(24,25)22-6-7-23(14(10-22)11-26-3)13-5-4-12(9-20)15(8-13)16(17,18)19/h4-5,8,14H,6-7,10-11H2,1-3H3/t14-/m1/s1

InChI Key

IOLVSGPEXUIDJK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32230061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.552

Distribution Coefficient, logD

1.552

Water Solubility, LogSw

-2.48

Polar Surface Area

64.628

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S956-5213 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Androgen Receptor Antagonists Library (4240 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S956-5213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S956-5213?
Check Price and Availability of S956-5213, 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 S956-5213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S956-5213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S956-5213
  • 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 S956-5213 available by request