8012-3392 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

8012-3392 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide
8012-3392 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3392
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}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

8012-3392

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[(phenylcarbamoyl)methyl]sulfanyl}acetamide

SMILES

COc(ccc(CCNC(CSCC(Nc1ccccc1)=O)=O)c1)c1OC

InChI

InChI=1S/C20H24N2O4S/c1-25-17-9-8-15(12-18(17)26-2)10-11-21-19(23)13-27-14-20(24)22-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

IQURCZBNHSHROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00353392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-2.72

Polar Surface Area

62.690

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8012-3392 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-3392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3392?
Check Price and Availability of 8012-3392, 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 8012-3392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3392
  • 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 8012-3392 available by request