K413-0491 Screening compound: 2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

K413-0491 Screening compound: 2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
K413-0491 Screening compound: 2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0491
2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)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

K413-0491

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

IUPAC name

2-(1H-indol-3-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C17H16N2O2S/c1-21-13-8-6-12(7-9-13)19-17(20)11-22-16-10-18-15-5-3-2-4-14(15)16/h2-10,18H,11H2,1H3,(H,19,20)

InChI Key

MCHYJOGZTBRGAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.611

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.84

Polar Surface Area

40.531

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

K413-0491 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K413-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0491?
Check Price and Availability of K413-0491, 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 K413-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0491
  • 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 K413-0491 available by request