3788-1493 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide

3788-1493 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide
3788-1493 Screening compound: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-1493
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide

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

3788-1493

Molecular Formula

C20H23Cl2N3O3S (C20 H23 Cl2 N3 O3 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dichlorophenyl)methanesulfonamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(35-dichlorophenyl)methanesulfonamide

SMILES

CS(N(CC(N1CCN(Cc2ccccc2)CC1)=O)c1cc(Cl)cc(Cl)c1)(=O)=O

InChI

InChI=1S/C20H23Cl2N3O3S/c1-29(27,28)25(19-12-17(21)11-18(22)13-19)15-20(26)24-9-7-23(8-10-24)14-16-5-3-2-4-6-16/h2-6,11-13H,7-10,14-15H2,1H3

InChI Key

LMEJVKIOPQBICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02807281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.50

Polar Surface Area

51.489

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3788-1493 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3788-1493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-1493?
Check Price and Availability of 3788-1493, 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 3788-1493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-1493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-1493
  • 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 3788-1493 available by request