4478-5086 Screening compound: N1,N4-bis(4-fluorophenyl)piperazine-1,4-dicarbothioamide

4478-5086 Screening compound: N1,N4-bis(4-fluorophenyl)piperazine-1,4-dicarbothioamide
4478-5086 Screening compound: N1,N4-bis(4-fluorophenyl)piperazine-1,4-dicarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5086
N1,N4-bis(4-fluorophenyl)piperazine-1,4-dicarbothioamide

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

4478-5086

Molecular Formula

C18H18F2N4S2 (C18 H18 F2 N4 S2)

Compound Name

N1,N4-bis(4-fluorophenyl)piperazine-1,4-dicarbothioamide

IUPAC name

N1N4-bis(4-fluorophenyl)piperazine-14-dicarbothioamide

SMILES

Fc(cc1)ccc1NC(N(CC1)CCN1C(Nc(cc1)ccc1F)=S)=S

InChI

InChI=1S/C18H18F2N4S2/c19-13-1-5-15(6-2-13)21-17(25)23-9-11-24(12-10-23)18(26)22-16-7-3-14(20)4-8-16/h1-8H,9-12H2,(H,21,25)(H,22,26)

InChI Key

CBHIGBAZDGYQDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01613343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.23

Polar Surface Area

21.843

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4478-5086 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4478-5086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5086?
Check Price and Availability of 4478-5086, 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 4478-5086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5086
  • 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 4478-5086 available by request