5705-0450 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(morpholin-4-yl)ethanimidamide

5705-0450 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(morpholin-4-yl)ethanimidamide
5705-0450 Screening compound: (E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(morpholin-4-yl)ethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5705-0450
(E)-N-[3-(4-methylbenzenesulfonamido)propyl]-N'-(4-methylbenzenesulfonyl)-2-(morpholin-4-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

5705-0450

Molecular Formula

C23H32N4O5S2 (C23 H32 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(NCCCN/C(/CN1CCOCC1)=N/S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C23H32N4O5S2/c1-19-4-8-21(9-5-19)33(28,29)25-13-3-12-24-23(18-27-14-16-32-17-15-27)26-34(30,31)22-10-6-20(2)7-11-22/h4-11,25H,3,12-18H2,1-2H3,(H,24,26)

InChI Key

RNWAMXYILBLRCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03634524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.91

Polar Surface Area

103.996

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5705-0450 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 5705-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5705-0450?
Check Price and Availability of 5705-0450, 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 5705-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5705-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5705-0450
  • 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 5705-0450 available by request