D047-0271 Screening compound: N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

D047-0271 Screening compound: N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
D047-0271 Screening compound: N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0271
N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

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

D047-0271

Molecular Formula

C18H19Cl2N3O (C18 H19 Cl2 N3 O)

Compound Name

N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

IUPAC name

N-benzyl-4-(34-dichlorophenyl)piperazine-1-carboxamide

SMILES

O=C(NCc1ccccc1)N(CC1)CCN1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)

InChI Key

IHYCDHOEPBVEQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.33

Polar Surface Area

30.290

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D047-0271 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D047-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0271?
Check Price and Availability of D047-0271, 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 D047-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0271
  • 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 D047-0271 available by request