T427-1000 Screening compound: 4-{[4-METHYL-3-(4-METHYLPHENYL)PIPERAZINO]SULFONYL}BENZONITRILE

T427-1000 Screening compound: 4-{[4-METHYL-3-(4-METHYLPHENYL)PIPERAZINO]SULFONYL}BENZONITRILE
T427-1000 Screening compound: 4-{[4-METHYL-3-(4-METHYLPHENYL)PIPERAZINO]SULFONYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound T427-1000
4-{[4-METHYL-3-(4-METHYLPHENYL)PIPERAZINO]SULFONYL}BENZONITRILE

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

T427-1000

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

4-{[4-METHYL-3-(4-METHYLPHENYL)PIPERAZINO]SULFONYL}BENZONITRILE

IUPAC name

n/a

SMILES

Cc1ccc(C(C2)N(C)CCN2S(c(cc2)ccc2C#N)(=O)=O)cc1

InChI

InChI=1S/C19H21N3O2S/c1-15-3-7-17(8-4-15)19-14-22(12-11-21(19)2)25(23,24)18-9-5-16(13-20)6-10-18/h3-10,19H,11-12,14H2,1-2H3/t19-/m0/s1

InChI Key

KQCWSKJWHFEVLD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27621079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-2.88

Polar Surface Area

52.054

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

T427-1000 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T427-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T427-1000?
Check Price and Availability of T427-1000, 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 T427-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T427-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T427-1000
  • 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 T427-1000 available by request