K781-0450 Screening compound: 4-benzyl-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide

K781-0450 Screening compound: 4-benzyl-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide
K781-0450 Screening compound: 4-benzyl-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0450
4-benzyl-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide

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

K781-0450

Molecular Formula

C18H19Cl2N3S (C18 H19 Cl2 N3 S)

Compound Name

4-benzyl-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide

IUPAC name

4-benzyl-N-(34-dichlorophenyl)piperazine-1-carbothioamide

SMILES

S=C(Nc(cc1)cc(Cl)c1Cl)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C18H19Cl2N3S/c19-16-7-6-15(12-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)

InChI Key

RNSCHTVBGXTIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-5.39

Polar Surface Area

14.677

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

K781-0450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K781-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0450?
Check Price and Availability of K781-0450, 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 K781-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0450
  • 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 K781-0450 available by request