3820-5131 Screening compound: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

3820-5131 Screening compound: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
3820-5131 Screening compound: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-5131
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

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

3820-5131

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

IUPAC name

N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(NC(c1ccccc1)=O)=S)=O

InChI

InChI=1S/C18H18N4O3S/c23-17(14-4-2-1-3-5-14)19-18(26)21-12-10-20(11-13-21)15-6-8-16(9-7-15)22(24)25/h1-9H,10-13H2,(H,19,23,26)

InChI Key

DHIZZSAMDYNESV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02802011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.48

Polar Surface Area

61.957

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3820-5131 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3820-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-5131?
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What is the minimum amount of 3820-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-5131
  • 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 3820-5131 available by request