C520-0339 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

C520-0339 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine
C520-0339 Screening compound: 1-{5-[(4-bromobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C520-0339
1-{5-[(4-bromobenzenesulfinyl)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

C520-0339

Molecular Formula

C21H20BrN3O3S (C21 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22BrN3O3S/c22-16-4-7-18(8-5-16)29(27)15-17-6-9-19(28-17)21(26)25-13-11-24(12-14-25)20-3-1-2-10-23-20/h1-10H,11-15,29H2

InChI Key

HYCCFZWVFNYNDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.38

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

4.093

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.21

Polar Surface Area

51.640

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C520-0339 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C520-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C520-0339?
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What is the minimum amount of C520-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C520-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C520-0339
  • 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 C520-0339 available by request