D047-0153 Screening compound: N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

D047-0153 Screening compound: N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
D047-0153 Screening compound: N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0153
N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)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

D047-0153

Molecular Formula

C16H15F2N3O3 (C16 H15 F2 N3 O3)

Compound Name

N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

IUPAC name

N-(24-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

SMILES

O=C(c1ccco1)N(CC1)CCN1C(Nc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)

InChI Key

DXWYWLDDFFYRBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06116643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.982

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-2.54

Polar Surface Area

50.044

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D047-0153 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D047-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0153?
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What is the minimum amount of D047-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0153
  • 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 D047-0153 available by request