D048-0033 Screening compound: N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide

D048-0033 Screening compound: N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide
D048-0033 Screening compound: N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0033
N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-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

D048-0033

Molecular Formula

C17H16BrFN2O3S (C17 H16 BrFN2 O3 S)

Compound Name

N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide

IUPAC name

N-(4-bromophenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

O=C(C(CCC1)N1S(c(cc1)ccc1F)(=O)=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H16BrFN2O3S/c18-12-3-7-14(8-4-12)20-17(22)16-2-1-11-21(16)25(23,24)15-9-5-13(19)6-10-15/h3-10,16H,1-2,11H2,(H,20,22)/t16-/m0/s1

InChI Key

NUGSGYLTEWRFCE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04214000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.80

Polar Surface Area

55.877

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

D048-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D048-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0033?
Check Price and Availability of D048-0033, 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 D048-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0033
  • 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 D048-0033 available by request