K413-0397 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide

K413-0397 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide
K413-0397 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0397
N-(2H-1,3-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)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

K413-0397

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide

SMILES

CCCn1c(cccc2)c2c(SCC(Nc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C20H20N2O3S/c1-2-9-22-11-19(15-5-3-4-6-16(15)22)26-12-20(23)21-14-7-8-17-18(10-14)25-13-24-17/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,23)

InChI Key

SJPFTTCJWPDAIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-3.97

Polar Surface Area

42.214

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K413-0397 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 K413-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0397?
Check Price and Availability of K413-0397, 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 K413-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0397
  • 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 K413-0397 available by request