1749-0057 Screening compound: [2-(benzenesulfinyl)ethyl]dimethylamine

1749-0057 Screening compound: [2-(benzenesulfinyl)ethyl]dimethylamine
1749-0057 Screening compound: [2-(benzenesulfinyl)ethyl]dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1749-0057
[2-(benzenesulfinyl)ethyl]dimethylamine

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

1749-0057

Molecular Formula

C10H15NOS (C10 H15 NOS)

Compound Name

[2-(benzenesulfinyl)ethyl]dimethylamine

IUPAC name

[2-(benzenesulfinyl)ethyl]dimethylamine

SMILES

CN(C)CCS(c1ccccc1)=O

InChI

InChI=1S/C10H17NOS/c1-11(2)8-9-13(12)10-6-4-3-5-7-10/h3-7H,8-9,13H2,1-2H3

InChI Key

HKSBGZZWAVWWSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

197.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.026

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-2.09

Polar Surface Area

19.516

Acid Dissociation Constant (pKa)

25.59

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

1749-0057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1749-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1749-0057?
Check Price and Availability of 1749-0057, 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 1749-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1749-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1749-0057
  • 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 1749-0057 available by request