K413-0190 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole

K413-0190 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole
K413-0190 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0190
3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole

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

K413-0190

Molecular Formula

C16H14ClNS (C16 H14 ClNS)

Compound Name

3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole

IUPAC name

3-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-indole

SMILES

Cn1c(cccc2)c2c(SCc(cc2)ccc2Cl)c1

InChI

InChI=1S/C16H14ClNS/c1-18-10-16(14-4-2-3-5-15(14)18)19-11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3

InChI Key

ZMMBSJFZLCMMJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.81

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.55

Polar Surface Area

2.526

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K413-0190 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K413-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0190?
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What is the minimum amount of K413-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0190
  • 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 K413-0190 available by request