4325-0057 Screening compound: N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

4325-0057 Screening compound: N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide
4325-0057 Screening compound: N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4325-0057
N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

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

4325-0057

Molecular Formula

C25H25BrFN3O3S (C25 H25 BrFN3 O3 S)

Compound Name

N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

IUPAC name

N-benzyl-4-bromo-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzene-1-sulfonamide

SMILES

O=C(CN(Cc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H25BrFN3O3S/c26-21-6-12-24(13-7-21)34(32,33)30(18-20-4-2-1-3-5-20)19-25(31)29-16-14-28(15-17-29)23-10-8-22(27)9-11-23/h1-13H,14-19H2

InChI Key

VFMNBQIICPZTRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.70

Polar Surface Area

50.995

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4325-0057 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4325-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4325-0057?
Check Price and Availability of 4325-0057, 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 4325-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4325-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4325-0057
  • 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 4325-0057 available by request