1806-0057 Screening compound: 2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide

1806-0057 Screening compound: 2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide
1806-0057 Screening compound: 2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1806-0057
2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide

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

1806-0057

Molecular Formula

C11H14N2O3S (C11 H14 N2 O3 S)

Compound Name

2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-(carbamoylsulfanyl)-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CSC(N)=O)=O

InChI

InChI=1S/C11H14N2O3S/c1-2-16-9-5-3-8(4-6-9)13-10(14)7-17-11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)

InChI Key

XYBKQXFWDFDLAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00809359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.174

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.21

Polar Surface Area

63.796

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

1806-0057 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1806-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1806-0057?
Check Price and Availability of 1806-0057, 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 1806-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1806-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1806-0057
  • 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 1806-0057 available by request