4596-0081 Screening compound: N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide

4596-0081 Screening compound: N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
4596-0081 Screening compound: N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4596-0081
N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide

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

4596-0081

Molecular Formula

C16H26N4O3S (C16 H26 N4 O3 S)

Compound Name

N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide

IUPAC name

N-[2-(4-methylbenzenesulfonamido)ethyl]-2-(4-methylpiperazin-1-yl)acetamide

SMILES

Cc(cc1)ccc1S(NCCNC(CN1CCN(C)CC1)=O)(=O)=O

InChI

InChI=1S/C16H26N4O3S/c1-14-3-5-15(6-4-14)24(22,23)18-8-7-17-16(21)13-20-11-9-19(2)10-12-20/h3-6,18H,7-13H2,1-2H3,(H,17,21)

InChI Key

PFAVBKSWWCLTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.611

Distribution Coefficient, logD

-0.058

Water Solubility, LogSw

-2.52

Polar Surface Area

73.632

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 4596-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4596-0081?
Check Price and Availability of 4596-0081, 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 4596-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4596-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4596-0081
  • 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 4596-0081 available by request