K413-0442 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

K413-0442 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
K413-0442 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0442
2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

K413-0442

Molecular Formula

C26H23ClN2OS (C26 H23 ClN2 OS)

Compound Name

2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

O=C(CSc1cn(Cc(cccc2)c2Cl)c2c1cccc2)N(CCC1)c2c1cccc2

InChI

InChI=1S/C26H23ClN2OS/c27-22-12-4-1-9-20(22)16-28-17-25(21-11-3-6-14-24(21)28)31-18-26(30)29-15-7-10-19-8-2-5-13-23(19)29/h1-6,8-9,11-14,17H,7,10,15-16,18H2

InChI Key

QDXADLXMENAMFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.048

Distribution Coefficient, logD

6.048

Water Solubility, LogSw

-6.08

Polar Surface Area

16.756

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K413-0442 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K413-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0442?
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What is the minimum amount of K413-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0442
  • 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 K413-0442 available by request