S951-0129 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-phenethyltetrahydro-1,3(2H)-pyrazinedicarboxamide

S951-0129 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-phenethyltetrahydro-1,3(2H)-pyrazinedicarboxamide
S951-0129 Screening compound: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-phenethyltetrahydro-1,3(2H)-pyrazinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S951-0129
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-phenethyltetrahydro-1,3(2H)-pyrazinedicarboxamide

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

S951-0129

Molecular Formula

C22H22F3N5O2 (C22 H22 F3 N5 O2)

Compound Name

4-[4-cyano-3-(trifluoromethyl)phenyl]-N-phenethyltetrahydro-1,3(2H)-pyrazinedicarboxamide

IUPAC name

4-[4-cyano-3-(trifluoromethyl)phenyl]-N1-(2-phenylethyl)piperazine-13-dicarboxamide

SMILES

NC(C(CN(CC1)C(NCCc2ccccc2)=O)N1c(cc1)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C22H22F3N5O2/c23-22(24,25)18-12-17(7-6-16(18)13-26)30-11-10-29(14-19(30)20(27)31)21(32)28-9-8-15-4-2-1-3-5-15/h1-7,12,19H,8-11,14H2,(H2,27,31)(H,28,32)/t19-/m0/s1

InChI Key

UWFYJIAUCHPTRC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32229860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-3.27

Polar Surface Area

80.874

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

S951-0129 in Drug Discovery

Included in Screening Libraries

Androgen Receptor Antagonists Library (4240 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S951-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S951-0129?
Check Price and Availability of S951-0129, 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 S951-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S951-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S951-0129
  • 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 S951-0129 available by request