1749-0042 Screening compound: {[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide

1749-0042 Screening compound: {[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide
1749-0042 Screening compound: {[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1749-0042
{[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide

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

1749-0042

Molecular Formula

C9H12N2O2S2 (C9 H12 N2 O2 S2)

Compound Name

{[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide

IUPAC name

{[2-(benzenesulfonyl)ethyl]sulfanyl}methanimidamide

SMILES

NC(SCCS(c1ccccc1)(=O)=O)=N

InChI

InChI=1S/C9H12N2O2S2/c10-9(11)14-6-7-15(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11)

InChI Key

WYMJGIAELBYPKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732232

Chemical and Physical Properties

Saltdata

p-CH3C6H4SO3H

Molecular Weight

244.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.287

Distribution Coefficient, logD

-0.212

Water Solubility, LogSw

-2.02

Polar Surface Area

69.046

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1749-0042 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1749-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1749-0042?
Check Price and Availability of 1749-0042, 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 1749-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1749-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1749-0042
  • 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 1749-0042 available by request