5705-0494 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide

5705-0494 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide
5705-0494 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5705-0494
N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-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

5705-0494

Molecular Formula

C25H34N4O5S2 (C25 H34 N4 O5 S2)

Compound Name

N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[(1E)-1-[3-(benzenesulfonyl)-2-(propan-2-yl)imidazolidin-1-yl]-2-(morpholin-4-yl)ethylidene]-4-methylbenzene-1-sulfonamide

SMILES

CC(C)C(N(CC1)/C(/CN2CCOCC2)=N/S(c2ccc(C)cc2)(=O)=O)N1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C25H34N4O5S2/c1-20(2)25-28(13-14-29(25)36(32,33)23-7-5-4-6-8-23)24(19-27-15-17-34-18-16-27)26-35(30,31)22-11-9-21(3)10-12-22/h4-12,20,25H,13-19H2,1-3H3/t25-/m0/s1

InChI Key

AZKHRUKPQQWYGX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03828041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.24

Polar Surface Area

86.455

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

5705-0494 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5705-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5705-0494?
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What is the minimum amount of 5705-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5705-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5705-0494
  • 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 5705-0494 available by request