3272-1187 Screening compound: N-(4-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(methylsulfanyl)benzene-1-sulfonamide

3272-1187 Screening compound: N-(4-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(methylsulfanyl)benzene-1-sulfonamide
3272-1187 Screening compound: N-(4-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(methylsulfanyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1187
N-(4-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-(methylsulfanyl)benzene-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

3272-1187

Molecular Formula

C28H33N3O5S2 (C28 H33 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(CC(N(CC1)CCN1c(cccc1)c1OC)=O)S(c(cc1)ccc1SC)(=O)=O

InChI

InChI=1S/C28H33N3O5S2/c1-4-36-23-11-9-22(10-12-23)31(38(33,34)25-15-13-24(37-3)14-16-25)21-28(32)30-19-17-29(18-20-30)26-7-5-6-8-27(26)35-2/h5-16H,4,17-21H2,1-3H3

InChI Key

MGRPDJXZZFDPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.36

Polar Surface Area

65.898

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

3272-1187 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3272-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1187?
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What is the minimum amount of 3272-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1187
  • 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 3272-1187 available by request