5705-0506 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-(pyrrolidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide

5705-0506 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-(pyrrolidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide
5705-0506 Screening compound: N-[(1E)-1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-(pyrrolidin-1-yl)ethylidene]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5705-0506
N-[(1E)-1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-(pyrrolidin-1-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

5705-0506

Molecular Formula

C29H34N4O5S2 (C29 H34 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(/N=C(\CN1CCCC1)/N(CC1)C(c(cc2)ccc2OC)N1S(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C29H34N4O5S2/c1-23-10-16-26(17-11-23)39(34,35)30-28(22-31-18-6-7-19-31)32-20-21-33(40(36,37)27-8-4-3-5-9-27)29(32)24-12-14-25(38-2)15-13-24/h3-5,8-17,29H,6-7,18-22H2,1-2H3/t29-/m0/s1

InChI Key

HMIYJQPENJYRMN-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03828050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.74

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.13

Polar Surface Area

86.184

Acid Dissociation Constant (pKa)

23.43

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 5705-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5705-0506?
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What is the minimum amount of 5705-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5705-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5705-0506
  • 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 5705-0506 available by request