C521-0303 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

C521-0303 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine
C521-0303 Screening compound: 1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0303
1-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)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

C521-0303

Molecular Formula

C21H20BrN3O4S (C21 H20 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H20BrN3O4S/c22-16-4-7-18(8-5-16)30(27,28)15-17-6-9-19(29-17)21(26)25-13-11-24(12-14-25)20-3-1-2-10-23-20/h1-10H,11-15H2

InChI Key

FJEHCOHUAOHHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-3.99

Polar Surface Area

65.264

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C521-0303 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C521-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0303?
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What is the minimum amount of C521-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0303
  • 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 C521-0303 available by request