5705-0451 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide

5705-0451 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide
5705-0451 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5705-0451
(E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide

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

5705-0451

Molecular Formula

C24H34N4O4S2 (C24 H34 N4 O4 S2)

Compound Name

(E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide

IUPAC name

(E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(piperidin-1-yl)ethanimidamide

SMILES

Cc(cc1)ccc1S(NCCCN/C(/CN1CCCCC1)=N/S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C24H34N4O4S2/c1-20-7-11-22(12-8-20)33(29,30)26-16-6-15-25-24(19-28-17-4-3-5-18-28)27-34(31,32)23-13-9-21(2)10-14-23/h7-14,26H,3-6,15-19H2,1-2H3,(H,25,27)

InChI Key

QDDVJXTXFROIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03634525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.68

Polar Surface Area

96.087

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

5705-0451 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5705-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5705-0451?
Check Price and Availability of 5705-0451, 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 5705-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5705-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5705-0451
  • 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 5705-0451 available by request