K413-0331 Screening compound: N-(2,4-dimethylphenyl)-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamide

K413-0331 Screening compound: N-(2,4-dimethylphenyl)-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamide
K413-0331 Screening compound: N-(2,4-dimethylphenyl)-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0331
N-(2,4-dimethylphenyl)-2-[(1-ethyl-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

K413-0331

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

N-(2,4-dimethylphenyl)-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamide

IUPAC name

N-(24-dimethylphenyl)-2-[(1-ethyl-1H-indol-3-yl)sulfanyl]acetamide

SMILES

CCn1c(cccc2)c2c(SCC(Nc2c(C)cc(C)cc2)=O)c1

InChI

InChI=1S/C20H22N2OS/c1-4-22-12-19(16-7-5-6-8-18(16)22)24-13-20(23)21-17-10-9-14(2)11-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,23)

InChI Key

HNAZSPWUQUKWNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-3.99

Polar Surface Area

24.147

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K413-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0331?
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What is the minimum amount of K413-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0331
  • 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 K413-0331 available by request