K413-0140 Screening compound: 1-methyl-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indole

K413-0140 Screening compound: 1-methyl-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indole
K413-0140 Screening compound: 1-methyl-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0140
1-methyl-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-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

K413-0140

Molecular Formula

C17H14F3NS (C17 H14 F3 NS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(SCc2ccc(C(F)(F)F)cc2)c1

InChI

InChI=1S/C17H14F3NS/c1-21-10-16(14-4-2-3-5-15(14)21)22-11-12-6-8-13(9-7-12)17(18,19)20/h2-10H,11H2,1H3

InChI Key

ZOHHDUDTFVIHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05013662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.33

Polar Surface Area

2.526

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K413-0140 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with K413-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0140?
Check Price and Availability of K413-0140, 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 K413-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0140
  • 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 K413-0140 available by request