C521-0311 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine

C521-0311 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine
C521-0311 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0311
1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine

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

C521-0311

Molecular Formula

C22H20BrFN2O4S (C22 H20 BrFN2 O4 S)

Compound Name

1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine

IUPAC name

1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(2-fluorophenyl)piperazine

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H20BrFN2O4S/c23-16-5-8-18(9-6-16)31(28,29)15-17-7-10-21(30-17)22(27)26-13-11-25(12-14-26)20-4-2-1-3-19(20)24/h1-10H,11-15H2

InChI Key

FJPFCLQFUZTNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.26

Polar Surface Area

56.452

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C521-0311 in Drug Discovery

Included in Screening Libraries

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 C521-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0311?
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What is the minimum amount of C521-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0311
  • 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 C521-0311 available by request