C521-0122 Screening compound: 2-methyl-4-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine

C521-0122 Screening compound: 2-methyl-4-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine
C521-0122 Screening compound: 2-methyl-4-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0122
2-methyl-4-{5-[(4-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

C521-0122

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(c2ccc(CS(c3ccc(C)cc3)(=O)=O)o2)=O)N1c1cc(C)ccc1

InChI

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

InChI Key

RDSVWDDFMFLUKS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14765275

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

4.593

Distribution Coefficient, logD

4.593

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

C521-0122 in Drug Discovery

Included in Screening Libraries

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 C521-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0122?
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What is the minimum amount of C521-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0122
  • 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 C521-0122 available by request