3888-1287 Screening compound: N-(4-benzylpiperazine-1-carbothioyl)benzamide

3888-1287 Screening compound: N-(4-benzylpiperazine-1-carbothioyl)benzamide
3888-1287 Screening compound: N-(4-benzylpiperazine-1-carbothioyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-1287
N-(4-benzylpiperazine-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

3888-1287

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

N-(4-benzylpiperazine-1-carbothioyl)benzamide

IUPAC name

N-(4-benzylpiperazine-1-carbothioyl)benzamide

SMILES

O=C(c1ccccc1)NC(N1CCN(Cc2ccccc2)CC1)=S

InChI

InChI=1S/C19H21N3OS/c23-18(17-9-5-2-6-10-17)20-19(24)22-13-11-21(12-14-22)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,20,23,24)

InChI Key

HQNDQGGVWZNHNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.28

Polar Surface Area

28.856

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3888-1287 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3888-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-1287?
Check Price and Availability of 3888-1287, 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 3888-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-1287
  • 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 3888-1287 available by request