4596-0176 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-diethylaniline

4596-0176 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-diethylaniline
4596-0176 Screening compound: 4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-diethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4596-0176
4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-diethylaniline

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

4596-0176

Molecular Formula

C26H31N3O4S2 (C26 H31 N3 O4 S2)

Compound Name

4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-N,N-diethylaniline

IUPAC name

4-[1-(benzenesulfonyl)-3-(4-methylbenzenesulfonyl)imidazolidin-2-yl]-NN-diethylaniline

SMILES

CCN(CC)c1ccc(C(N(CC2)S(c3ccccc3)(=O)=O)N2S(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C26H31N3O4S2/c1-4-27(5-2)23-15-13-22(14-16-23)26-28(34(30,31)24-9-7-6-8-10-24)19-20-29(26)35(32,33)25-17-11-21(3)12-18-25/h6-18,26H,4-5,19-20H2,1-3H3/t26-/m0/s1

InChI Key

DYMDTYKJLVWRMD-SANMLTNESA-N

MDL Number (MFCD)

MFCD01305395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.10

Polar Surface Area

66.994

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

4596-0176 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4596-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4596-0176?
Check Price and Availability of 4596-0176, 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 4596-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4596-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4596-0176
  • 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 4596-0176 available by request