K413-0062 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

K413-0062 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
K413-0062 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0062
2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]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

K413-0062

Molecular Formula

C24H18F4N2OS (C24 H18 F4 N2 OS)

Compound Name

2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSc1cn(Cc2cc(F)ccc2)c2c1cccc2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C24H18F4N2OS/c25-17-7-5-6-16(12-17)13-30-14-22(18-8-1-4-11-21(18)30)32-15-23(31)29-20-10-3-2-9-19(20)24(26,27)28/h1-12,14H,13,15H2,(H,29,31)

InChI Key

MERRLDHHXDCDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.604

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-5.90

Polar Surface Area

24.151

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K413-0062 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K413-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0062?
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What is the minimum amount of K413-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0062
  • 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 K413-0062 available by request