D047-0161 Screening compound: 4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

D047-0161 Screening compound: 4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
D047-0161 Screening compound: 4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0161
4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]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

D047-0161

Molecular Formula

C17H16F3N3O3 (C17 H16 F3 N3 O3)

Compound Name

4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-(furan-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

O=C(c1ccco1)N(CC1)CCN1C(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)12-3-5-13(6-4-12)21-16(25)23-9-7-22(8-10-23)15(24)14-2-1-11-26-14/h1-6,11H,7-10H2,(H,21,25)

InChI Key

WIRGQLCPQLEFPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.90

Polar Surface Area

50.742

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D047-0161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with D047-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0161?
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What is the minimum amount of D047-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0161
  • 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 D047-0161 available by request