4240-0457 Screening compound: 1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)piperazine

4240-0457 Screening compound: 1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)piperazine
4240-0457 Screening compound: 1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0457
1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)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

4240-0457

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)piperazine

IUPAC name

1-{[4-(benzyloxy)-3-methoxyphenyl]methyl}-4-(4-methylbenzenesulfonyl)piperazine

SMILES

Cc(cc1)ccc1S(N1CCN(Cc(cc2)cc(OC)c2OCc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C26H30N2O4S/c1-21-8-11-24(12-9-21)33(29,30)28-16-14-27(15-17-28)19-23-10-13-25(26(18-23)31-2)32-20-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3

InChI Key

RUXHFOKLOJFNOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816507

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.35

Polar Surface Area

50.434

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4240-0457 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4240-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0457?
Check Price and Availability of 4240-0457, 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 4240-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0457
  • 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 4240-0457 available by request