8020-5827 Screening compound: (4-benzylpiperazino)(4-fluorophenyl)methanethione

8020-5827 Screening compound: (4-benzylpiperazino)(4-fluorophenyl)methanethione
8020-5827 Screening compound: (4-benzylpiperazino)(4-fluorophenyl)methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5827
(4-benzylpiperazino)(4-fluorophenyl)methanethione

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

8020-5827

Molecular Formula

C18H19FN2S (C18 H19 FN2 S)

Compound Name

(4-benzylpiperazino)(4-fluorophenyl)methanethione

IUPAC name

1-benzyl-4-(4-fluorobenzenecarbothioyl)piperazine

SMILES

Fc(cc1)ccc1C(N1CCN(Cc2ccccc2)CC1)=S

InChI

InChI=1S/C18H19FN2S/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2

InChI Key

RJROPPPKHHPVAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05989959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.18

Polar Surface Area

5.727

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8020-5827 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

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 8020-5827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5827?
Check Price and Availability of 8020-5827, 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 8020-5827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5827
  • 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 8020-5827 available by request