4577-0897 Screening compound: N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide

4577-0897 Screening compound: N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide
4577-0897 Screening compound: N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0897
N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide

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

4577-0897

Molecular Formula

C27H31N3O5S (C27 H31 N3 O5 S)

Compound Name

N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-(2-methoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(CC(N(CC1)CCN1c(cccc1)c1OC)=O)c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C27H31N3O5S/c1-21-12-14-22(15-13-21)36(32,33)30(24-9-5-7-11-26(24)35-3)20-27(31)29-18-16-28(17-19-29)23-8-4-6-10-25(23)34-2/h4-15H,16-20H2,1-3H3

InChI Key

IRXDFTCXBBSIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03236212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-3.97

Polar Surface Area

66.104

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

4577-0897 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4577-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0897?
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What is the minimum amount of 4577-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0897
  • 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 4577-0897 available by request