C521-0826 Screening compound: 2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine

C521-0826 Screening compound: 2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine
C521-0826 Screening compound: 2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0826
2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-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

C521-0826

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine

IUPAC name

2-methyl-4-{5-[(2-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(c2ccc(CS(c3c(C)cccc3)(=O)=O)o2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H28N2O4S/c1-18-7-6-9-21(15-18)27-14-13-26(16-20(27)3)25(28)23-12-11-22(31-23)17-32(29,30)24-10-5-4-8-19(24)2/h4-12,15,20H,13-14,16-17H2,1-3H3/t20-/m0/s1

InChI Key

DMSVJCZHKPNIAH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14765410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

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

4.585

Distribution Coefficient, logD

4.585

Water Solubility, LogSw

-4.37

Polar Surface Area

55.972

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C521-0826 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C521-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0826?
Check Price and Availability of C521-0826, 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 C521-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0826
  • 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 C521-0826 available by request