3466-0053 Screening compound: 1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine

3466-0053 Screening compound: 1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine
3466-0053 Screening compound: 1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3466-0053
1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine

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

3466-0053

Molecular Formula

C18H19ClN2OS (C18 H19 ClN2 OS)

Compound Name

1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine

IUPAC name

1-(3-chlorophenyl)-4-(4-methoxybenzenecarbothioyl)piperazine

SMILES

COc(cc1)ccc1C(N(CC1)CCN1c1cccc(Cl)c1)=S

InChI

InChI=1S/C18H19ClN2OS/c1-22-17-7-5-14(6-8-17)18(23)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3

InChI Key

MRZLWMYZXMVHKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.587

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.72

Polar Surface Area

12.991

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3466-0053 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3466-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3466-0053?
Check Price and Availability of 3466-0053, 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 3466-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3466-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3466-0053
  • 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 3466-0053 available by request