5492-2594 Screening compound: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide

5492-2594 Screening compound: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
5492-2594 Screening compound: 4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5492-2594
4-ethyl-N-(4-methoxyphenyl)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

5492-2594

Molecular Formula

C14H21N3OS (C14 H21 N3 OS)

Compound Name

4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide

IUPAC name

4-ethyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide

SMILES

CCN(CC1)CCN1C(Nc(cc1)ccc1OC)=S

InChI

InChI=1S/C14H21N3OS/c1-3-16-8-10-17(11-9-16)14(19)15-12-4-6-13(18-2)7-5-12/h4-7H,3,8-11H2,1-2H3,(H,15,19)

InChI Key

XWLWPBRJJRISII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02827605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-2.68

Polar Surface Area

22.217

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5492-2594 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5492-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5492-2594?
Check Price and Availability of 5492-2594, 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 5492-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5492-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5492-2594
  • 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 5492-2594 available by request