C521-1054 Screening compound: 4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

C521-1054 Screening compound: 4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine
C521-1054 Screening compound: 4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-1054
4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)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

C521-1054

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

IUPAC name

4-{5-[(2-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(c2ccc(CS(c(cccc3)c3OC)(=O)=O)o2)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C25H28N2O5S/c1-18-8-10-20(11-9-18)27-15-14-26(16-19(27)2)25(28)23-13-12-21(32-23)17-33(29,30)24-7-5-4-6-22(24)31-3/h4-13,19H,14-17H2,1-3H3/t19-/m0/s1

InChI Key

KVUFYRDYZXBVAH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14765511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.07

Polar Surface Area

63.602

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C521-1054 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C521-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-1054?
Check Price and Availability of C521-1054, 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 C521-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-1054
  • 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 C521-1054 available by request