3788-0085 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)benzenesulfonamide

3788-0085 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)benzenesulfonamide
3788-0085 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0085
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)benzenesulfonamide

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

3788-0085

Molecular Formula

C27H31N3O3S (C27 H31 N3 O3 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)benzenesulfonamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(35-dimethylphenyl)benzenesulfonamide

SMILES

Cc1cc(N(CC(N2CCN(Cc3ccccc3)CC2)=O)S(c2ccccc2)(=O)=O)cc(C)c1

InChI

InChI=1S/C27H31N3O3S/c1-22-17-23(2)19-25(18-22)30(34(32,33)26-11-7-4-8-12-26)21-27(31)29-15-13-28(14-16-29)20-24-9-5-3-6-10-24/h3-12,17-19H,13-16,20-21H2,1-2H3

InChI Key

XYEDPCFFHUZGPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02806383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.09

Polar Surface Area

51.725

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3788-0085 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3788-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0085?
Check Price and Availability of 3788-0085, 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 3788-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0085
  • 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 3788-0085 available by request